1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol

C10H14F2O — CID 123964902

IUPAC1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol
SMILESCC(O)C1C=CC(F)=CC(C)C1F
InChIInChI=1S/C10H14F2O/c1-6-5-8(11)3-4-9(7(2)13)10(6)12/h3-7,9-10,13H,1-2H3
InChIKeyJGEYSBWSDOQLLL-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.38
Rot. Bonds1

About 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol

1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol (PubChem CID 123964902) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol
PubChem CID123964902
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol
SMILESCC(O)C1C=CC(F)=CC(C)C1F
InChIInChI=1S/C10H14F2O/c1-6-5-8(11)3-4-9(7(2)13)10(6)12/h3-7,9-10,13H,1-2H3
InChIKeyJGEYSBWSDOQLLL-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol
CID 22939024
(1R,2R)-2-(1-fluoroethyl)cyclopent-3-en-1-ol
CID 58878672
1-(Trifluoromethyl)phenyl-2-methylpropane-1-ol
CID 67618108
(1S,2S)-2-(1-fluoroethyl)cyclopent-3-en-1-ol
CID 68213939
(1S)-1-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 68311614
(1S,2S)-2-(2-fluoropropan-2-yl)cyclopent-3-en-1-ol
CID 68394946
1-(4-Fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 69620423
(2S)-1-(3,5-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 71163602
(2S)-1-cyclohexa-2,4-dien-1-yl-1,1-difluoropentan-2-ol
CID 71163756
1-(2,5-Difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 71163772
1,1,1-Trifluoro-3-methyloct-6-en-2-ol
CID 74011063
1-(4-Fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 89328552

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol?
The IUPAC name of 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol (CID 123964902) is 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol?
The canonical SMILES for 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol is CC(O)C1C=CC(F)=CC(C)C1F.
What is the InChIKey of 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol?
The InChIKey is JGEYSBWSDOQLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-6-5-8(11)3-4-9(7(2)13)10(6)12/h3-7,9-10,13H,1-2H3.
What are the key properties of 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol?
1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol has a molecular weight of 188.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 123964902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).