(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene

C11H15FO — CID 89247368

IUPAC(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC1=CC2=C(CC(C)CO2)C[C@@H]1F
InChIInChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h4,7,10H,3,5-6H2,1-2H3/t7?,10-/m0/s1
InChIKeyLBUWQEHXBOUKFL-MHPPCMCBSA-N
MW182.24 g/mol
LogP2.98
Rot. Bonds

About (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene

(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 89247368) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
PubChem CID89247368
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC1=CC2=C(CC(C)CO2)C[C@@H]1F
InChIInChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h4,7,10H,3,5-6H2,1-2H3/t7?,10-/m0/s1
InChIKeyLBUWQEHXBOUKFL-MHPPCMCBSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene (CID 89247368) is (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene is CC1=CC2=C(CC(C)CO2)C[C@@H]1F.
What is the InChIKey of (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is LBUWQEHXBOUKFL-MHPPCMCBSA-N. The full InChI is InChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h4,7,10H,3,5-6H2,1-2H3/t7?,10-/m0/s1.
What are the key properties of (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 182.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 89247368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).