5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

C10H13F3O — CID 163602906

IUPAC5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=C(C(F)(F)F)C=CC(O)C1
InChIInChI=1S/C10H13F3O/c1-6(2)8-5-7(14)3-4-9(8)10(11,12)13/h3-4,6-7,14H,5H2,1-2H3
InChIKeyGZFHSTIOCVYFNO-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.82
Rot. Bonds1

About 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 163602906) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID163602906
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=C(C(F)(F)F)C=CC(O)C1
InChIInChI=1S/C10H13F3O/c1-6(2)8-5-7(14)3-4-9(8)10(11,12)13/h3-4,6-7,14H,5H2,1-2H3
InChIKeyGZFHSTIOCVYFNO-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methylidene-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 32054
(1R,2S)-3-methyl-6-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
CID 102381659
6,6-Difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 130146321
(1S,2R,5R)-6,6-difluoro-3,5-dimethylcyclohex-3-ene-1,2-diol
CID 134856246
(1S,2S,5S)-6,6-difluoro-3,5-dimethylcyclohex-3-ene-1,2-diol
CID 134856355
5-Ethylcyclohexa-2,4-dien-1-ol
CID 70250484
2-Propan-2-ylcyclohexa-2,4-dien-1-ol
CID 123660700
2,6,6-Tris(fluoromethyl)cyclohexa-2,4-dien-1-ol
CID 66633136
1-(Trifluoromethyl)phenyl-2-methylpropane-1-ol
CID 67618108
8,8-difluoro-4-methyl-2,3,4,7-tetrahydro-1H-naphthalen-1-ol
CID 69866642
1-(3,5-Difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
CID 70970332
(E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol
CID 71037334

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 163602906) is 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is CC(C)C1=C(C(F)(F)F)C=CC(O)C1.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is GZFHSTIOCVYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-6(2)8-5-7(14)3-4-9(8)10(11,12)13/h3-4,6-7,14H,5H2,1-2H3.
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 206.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163602906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).