[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol

C8H9F3O — CID 173175959

IUPAC[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H9F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-3,6,12H,4-5H2
InChIKeyFPRYIYQUAGNRCI-UHFFFAOYSA-N
MW178.15 g/mol
LogP2.04
Rot. Bonds1

About [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol

[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 173175959) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID173175959
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H9F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-3,6,12H,4-5H2
InChIKeyFPRYIYQUAGNRCI-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 173175959) is [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol is OCC1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is FPRYIYQUAGNRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-3,6,12H,4-5H2.
What are the key properties of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 178.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 173175959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).