1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol

C10H13F3O — CID 163793918

IUPAC1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol
SMILESCC(O)CC1=CC(C(F)(F)F)CC=C1
InChIInChI=1S/C10H13F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyMZDCKZLKMDGSLO-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.82
Rot. Bonds2

About 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol

1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol (PubChem CID 163793918) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol
PubChem CID163793918
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol
SMILESCC(O)CC1=CC(C(F)(F)F)CC=C1
InChIInChI=1S/C10H13F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyMZDCKZLKMDGSLO-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

(Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol
CID 10585231
(2-Methyl-2,4-cyclohexadien-1-yl)methanol
CID 15174764
Di-hydrophenylethanol
CID 67967867
(2R)-1,1-difluoro-6-methylhept-5-en-2-ol
CID 10535014
(2S)-1,1-difluoro-6-methylhept-5-en-2-ol
CID 10535015
(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol
CID 10631266
(2S)-1,1,1-trifluoro-6-methylhept-5-en-2-ol
CID 10631267
1-(Trifluoromethyl)phenyl-2-methylpropane-1-ol
CID 67618108
(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol
CID 67765367
(1S)-1-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 68311614
1-(4-Fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 69620423
1-(3,5-Difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
CID 70970332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol (CID 163793918) is 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol is CC(O)CC1=CC(C(F)(F)F)CC=C1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol?
The InChIKey is MZDCKZLKMDGSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-3,6-7,9,14H,4-5H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol?
1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol has a molecular weight of 206.21 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol is sourced from PubChem (CID 163793918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).