[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol

C8H11F3O — CID 118889335

IUPAC[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol
SMILESOCC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,6-7,12H,2,4-5H2
InChIKeyWUNKKTBBEBEYKZ-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.12
Rot. Bonds1

About [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol

[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol (PubChem CID 118889335) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol
PubChem CID118889335
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol
SMILESOCC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,6-7,12H,2,4-5H2
InChIKeyWUNKKTBBEBEYKZ-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol (CID 118889335) is [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol is OCC1C=CC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol?
The InChIKey is WUNKKTBBEBEYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,6-7,12H,2,4-5H2.
What are the key properties of [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol?
[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol has a molecular weight of 180.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 118889335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).