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

C11H14F2O — CID 71070317

IUPAC(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1COC2=C(C=C(F)C(C)[C@@H]2F)C1
InChIInChI=1S/C11H14F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h4,6-7,10H,3,5H2,1-2H3/t6?,7?,10-/m0/s1
InChIKeyVFHQJPBGXKPAEF-QIMWKCOFSA-N
MW200.23 g/mol
LogP3.14
Rot. Bonds

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

(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 71070317) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
PubChem CID71070317
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1COC2=C(C=C(F)C(C)[C@@H]2F)C1
InChIInChI=1S/C11H14F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h4,6-7,10H,3,5H2,1-2H3/t6?,7?,10-/m0/s1
InChIKeyVFHQJPBGXKPAEF-QIMWKCOFSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070306
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene
CID 89011976
(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
CID 89189819
5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
CID 89247335
6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247336
(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 89247346
6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247349
6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 89247351

Frequently Asked Questions

What is the IUPAC name of (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene (CID 71070317) is (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene is CC1COC2=C(C=C(F)C(C)[C@@H]2F)C1.
What is the InChIKey of (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is VFHQJPBGXKPAEF-QIMWKCOFSA-N. The full InChI is InChI=1S/C11H14F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h4,6-7,10H,3,5H2,1-2H3/t6?,7?,10-/m0/s1.
What are the key properties of (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene?
(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 200.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 71070317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).