(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene

C11H15FO — CID 89247346

IUPAC(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1COC2=C(C=C(F)[C@H](C)C2)C1
InChIInChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h5,7-8H,3-4,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyKHOXLNJPACTVEI-BRFYHDHCSA-N
MW182.24 g/mol
LogP3.19
Rot. Bonds

About (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene

(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 89247346) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
PubChem CID89247346
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1COC2=C(C=C(F)[C@H](C)C2)C1
InChIInChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h5,7-8H,3-4,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyKHOXLNJPACTVEI-BRFYHDHCSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene 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 (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene (CID 89247346) is (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene is CC1COC2=C(C=C(F)[C@H](C)C2)C1.
What is the InChIKey of (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is KHOXLNJPACTVEI-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h5,7-8H,3-4,6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 182.24 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 89247346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).