3-(trifluoromethyl)cyclohept-2-en-1-ol

C8H11F3O — CID 166885238

IUPAC3-(trifluoromethyl)cyclohept-2-en-1-ol
SMILESOC1C=C(C(F)(F)F)CCCC1
InChIInChI=1S/C8H11F3O/c9-8(10,11)6-3-1-2-4-7(12)5-6/h5,7,12H,1-4H2
InChIKeyBFMUECFDQSGJDP-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.41
Rot. Bonds

About 3-(trifluoromethyl)cyclohept-2-en-1-ol

3-(trifluoromethyl)cyclohept-2-en-1-ol (PubChem CID 166885238) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclohept-2-en-1-ol
PubChem CID166885238
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name3-(trifluoromethyl)cyclohept-2-en-1-ol
SMILESOC1C=C(C(F)(F)F)CCCC1
InChIInChI=1S/C8H11F3O/c9-8(10,11)6-3-1-2-4-7(12)5-6/h5,7,12H,1-4H2
InChIKeyBFMUECFDQSGJDP-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.41
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 3-(trifluoromethyl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(trifluoromethyl)cyclohept-2-en-1-ol (CID 166885238) is 3-(trifluoromethyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(trifluoromethyl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(trifluoromethyl)cyclohept-2-en-1-ol is OC1C=C(C(F)(F)F)CCCC1.
What is the InChIKey of 3-(trifluoromethyl)cyclohept-2-en-1-ol?
The InChIKey is BFMUECFDQSGJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c9-8(10,11)6-3-1-2-4-7(12)5-6/h5,7,12H,1-4H2.
What are the key properties of 3-(trifluoromethyl)cyclohept-2-en-1-ol?
3-(trifluoromethyl)cyclohept-2-en-1-ol has a molecular weight of 180.17 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 166885238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).