6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene

C11H16F2O — CID 71070310

IUPAC6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESCC1COC2=C(C1)CC(F)C(C)C2F
InChIInChI=1S/C11H16F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h6-7,9-10H,3-5H2,1-2H3
InChIKeyNVZMGNPIDDHUSS-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.01
Rot. Bonds

About 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene

6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene (PubChem CID 71070310) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene.

Molecular Properties

Compound Name6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
PubChem CID71070310
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESCC1COC2=C(C1)CC(F)C(C)C2F
InChIInChI=1S/C11H16F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h6-7,9-10H,3-5H2,1-2H3
InChIKeyNVZMGNPIDDHUSS-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran
CID 54020045
6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070311
5-(2-fluoro-3-methylbut-3-enyl)-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247337
6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 89247338
(6S)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 89247342
(7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 89247345
5-[(2R)-2-fluorobutyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247347
5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247353
6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247360
(6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 89247416
6-(fluoromethyl)-5-(2-fluoro-3-methylbut-3-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247417
(4S)-8,8-difluoro-4,5-dimethyl-2,3,4,5,6,7-hexahydrochromene
CID 89856375

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The IUPAC name of 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene (CID 71070310) is 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene.
What is the SMILES notation for 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The canonical SMILES for 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene is CC1COC2=C(C1)CC(F)C(C)C2F.
What is the InChIKey of 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The InChIKey is NVZMGNPIDDHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-6-3-8-4-9(12)7(2)10(13)11(8)14-5-6/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene has a molecular weight of 202.24 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene is sourced from PubChem (CID 71070310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).