(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene

C11H14F2O — CID 71070314

IUPAC(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC1=C(F)C2=C(CC(C)CO2)C[C@@H]1F
InChIInChI=1S/C11H14F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h6,9H,3-5H2,1-2H3/t6?,9-/m0/s1
InChIKeyWUDNOKFRWHTWOS-HSOSERFQSA-N
MW200.23 g/mol
LogP3.28
Rot. Bonds

About (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene

(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 71070314) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
PubChem CID71070314
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC1=C(F)C2=C(CC(C)CO2)C[C@@H]1F
InChIInChI=1S/C11H14F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h6,9H,3-5H2,1-2H3/t6?,9-/m0/s1
InChIKeyWUDNOKFRWHTWOS-HSOSERFQSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene (CID 71070314) is (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene is CC1=C(F)C2=C(CC(C)CO2)C[C@@H]1F.
What is the InChIKey of (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is WUDNOKFRWHTWOS-HSOSERFQSA-N. The full InChI is InChI=1S/C11H14F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h6,9H,3-5H2,1-2H3/t6?,9-/m0/s1.
What are the key properties of (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 200.23 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 71070314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).