(4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane

C56H78F2O5 — CID 160797021

IUPAC(4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane
SMILESCC(C)C1CCOCC1.CC(C)[C@@H]1CCOc2c(F)cccc21.CC(C)[C@@H]1CCOc2ccccc21.CC(C)[C@H]1CCOc2c(F)cccc21.CC(C)[C@H]1CCOc2ccccc21
InChIInChI=1S/2C12H15FO.2C12H16O.C8H16O/c2*1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-9-6-4-8/h2*3-5,8-9H,6-7H2,1-2H3;2*3-6,9-10H,7-8H2,1-2H3;7-8H,3-6H2,1-2H3/t2*9-;2*10-;/m1010./s1
InChIKeySCONPBLOSFSXRL-SNLHKXMLSA-N
MW869.23 g/mol
LogP15.18
Rot. Bonds5

About (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane

(4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane (PubChem CID 160797021) has the molecular formula C56H78F2O5 and a molecular weight of 869.23 g/mol. Its IUPAC name is (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane.

Molecular Properties

Compound Name(4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane
PubChem CID160797021
Molecular FormulaC56H78F2O5
Molecular Weight869.23 g/mol
Exact Mass868.58
IUPAC Name(4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane
SMILESCC(C)C1CCOCC1.CC(C)[C@@H]1CCOc2c(F)cccc21.CC(C)[C@@H]1CCOc2ccccc21.CC(C)[C@H]1CCOc2c(F)cccc21.CC(C)[C@H]1CCOc2ccccc21
InChIInChI=1S/2C12H15FO.2C12H16O.C8H16O/c2*1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-9-6-4-8/h2*3-5,8-9H,6-7H2,1-2H3;2*3-6,9-10H,7-8H2,1-2H3;7-8H,3-6H2,1-2H3/t2*9-;2*10-;/m1010./s1
InChIKeySCONPBLOSFSXRL-SNLHKXMLSA-N
XLogP15.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.23
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane?
The IUPAC name of (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane (CID 160797021) is (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane.
What is the SMILES notation for (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane?
The canonical SMILES for (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane is CC(C)C1CCOCC1.CC(C)[C@@H]1CCOc2c(F)cccc21.CC(C)[C@@H]1CCOc2ccccc21.CC(C)[C@H]1CCOc2c(F)cccc21.CC(C)[C@H]1CCOc2ccccc21.
What is the InChIKey of (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane?
The InChIKey is SCONPBLOSFSXRL-SNLHKXMLSA-N. The full InChI is InChI=1S/2C12H15FO.2C12H16O.C8H16O/c2*1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-9-6-4-8/h2*3-5,8-9H,6-7H2,1-2H3;2*3-6,9-10H,7-8H2,1-2H3;7-8H,3-6H2,1-2H3/t2*9-;2*10-;/m1010./s1.
What are the key properties of (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane?
(4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane has a molecular weight of 869.23 g/mol, XLogP of 15.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-8-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;(4R)-4-propan-2-yl-3,4-dihydro-2H-chromene;(4S)-4-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yloxane is sourced from PubChem (CID 160797021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).