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

C10H13FO — CID 89011976

IUPAC(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1=CC2=C(C[C@H]1F)OCCC2
InChIInChI=1S/C10H13FO/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h5,9H,2-4,6H2,1H3/t9-/m1/s1
InChIKeyUDHDLAODLQDMRK-SECBINFHSA-N
MW168.21 g/mol
LogP2.74
Rot. Bonds

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

(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 89011976) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene
PubChem CID89011976
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1=CC2=C(C[C@H]1F)OCCC2
InChIInChI=1S/C10H13FO/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h5,9H,2-4,6H2,1H3/t9-/m1/s1
InChIKeyUDHDLAODLQDMRK-SECBINFHSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene (CID 89011976) is (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene is CC1=CC2=C(C[C@H]1F)OCCC2.
What is the InChIKey of (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is UDHDLAODLQDMRK-SECBINFHSA-N. The full InChI is InChI=1S/C10H13FO/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h5,9H,2-4,6H2,1H3/t9-/m1/s1.
What are the key properties of (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene?
(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 168.21 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 89011976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).