[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol

C8H9F3O — CID 129304163

IUPAC[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H9F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,12H,2,4-5H2
InChIKeyVCFJNRBACJPJNL-UHFFFAOYSA-N
MW178.15 g/mol
LogP2.19
Rot. Bonds1

About [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol

[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 129304163) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID129304163
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H9F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,12H,2,4-5H2
InChIKeyVCFJNRBACJPJNL-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol (CID 129304163) is [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol is OCC1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is VCFJNRBACJPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,12H,2,4-5H2.
What are the key properties of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 178.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 129304163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).