4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol

C12H17F3O — CID 123210225

IUPAC4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol
SMILESCC(CCCO)C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C12H17F3O/c1-9(3-2-8-16)10-4-6-11(7-5-10)12(13,14)15/h4-6,9,11,16H,2-3,7-8H2,1H3
InChIKeyQEBHFMYNTYCHBH-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.46
Rot. Bonds4

About 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol

4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol (PubChem CID 123210225) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol
PubChem CID123210225
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol
SMILESCC(CCCO)C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C12H17F3O/c1-9(3-2-8-16)10-4-6-11(7-5-10)12(13,14)15/h4-6,9,11,16H,2-3,7-8H2,1H3
InChIKeyQEBHFMYNTYCHBH-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol
CID 163195778
Dodeca-1,6-dien-12-ol, 6,10-dimethyl-
CID 5367566
3,3,3-trifluoro-2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-ol
CID 162418237
(4s,8r)-p-Mentha-1,5-dien-9-ol
CID 101540562
Methylene citronellol
CID 129670839
7-Methyl-3-(trifluoromethyl)oct-6-en-1-ol
CID 71725238
(5,6-Difluoro-4-methylcyclohex-3-en-1-yl)methanol
CID 68199909
[6-Fluoro-4-(trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68199971
[6-(Trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68199983
[4-(Trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68199990
[5,6-Difluoro-4-(trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68213058
[3-[4-(Difluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]methanol
CID 68213082

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol?
The IUPAC name of 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol (CID 123210225) is 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol is CC(CCCO)C1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol?
The InChIKey is QEBHFMYNTYCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O/c1-9(3-2-8-16)10-4-6-11(7-5-10)12(13,14)15/h4-6,9,11,16H,2-3,7-8H2,1H3.
What are the key properties of 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol?
4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol has a molecular weight of 234.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol is sourced from PubChem (CID 123210225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).