2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol

C9H12F2O — CID 163770846

IUPAC2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCC(CO)C1=CC(F)=CC(F)C1
InChIInChI=1S/C9H12F2O/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2,4,6,9,12H,3,5H2,1H3
InChIKeyMGHQIARSCGFUAT-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.14
Rot. Bonds2

About 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol

2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol (PubChem CID 163770846) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol
PubChem CID163770846
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCC(CO)C1=CC(F)=CC(F)C1
InChIInChI=1S/C9H12F2O/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2,4,6,9,12H,3,5H2,1H3
InChIKeyMGHQIARSCGFUAT-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
CID 134966693
7-Methyl-3-(trifluoromethyl)oct-6-en-1-ol
CID 71725238
(5,6-Difluoro-4-methylcyclohex-3-en-1-yl)methanol
CID 68199909
[4-(Trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68199990
[(5R)-5,6-difluoro-4-methylcyclohex-3-en-1-yl]methanol
CID 68213320
(2R)-1-(3-fluorocyclohexa-1,3-dien-1-yl)propan-2-ol
CID 68311618
1-(3,5-Difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
CID 70970332
(4-Fluorocyclohex-2-en-1-yl)methanol
CID 89165837
[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol
CID 89419033
(5-Fluorocyclohex-2-en-1-yl)methanol
CID 89419644
(Z)-8,8,8-trifluoro-3,7-dimethyloct-6-en-1-ol
CID 89721203
[2-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol
CID 91331914

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol?
The IUPAC name of 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol (CID 163770846) is 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol.
What is the SMILES notation for 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol?
The canonical SMILES for 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol is CC(CO)C1=CC(F)=CC(F)C1.
What is the InChIKey of 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol?
The InChIKey is MGHQIARSCGFUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2,4,6,9,12H,3,5H2,1H3.
What are the key properties of 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol?
2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol has a molecular weight of 174.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol is sourced from PubChem (CID 163770846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).