(E)-7,7,7-trifluorohept-4-en-1-ol

C7H11F3O — CID 124707485

IUPAC(E)-7,7,7-trifluorohept-4-en-1-ol
SMILESOCCC/C=C/CC(F)(F)F
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6-11/h1,3,11H,2,4-6H2/b3-1+
InChIKeyJWEONGQDYCKMSA-HNQUOIGGSA-N
MW168.16 g/mol
LogP2.27
Rot. Bonds4

About (E)-7,7,7-trifluorohept-4-en-1-ol

(E)-7,7,7-trifluorohept-4-en-1-ol (PubChem CID 124707485) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is (E)-7,7,7-trifluorohept-4-en-1-ol.

Molecular Properties

Compound Name(E)-7,7,7-trifluorohept-4-en-1-ol
PubChem CID124707485
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name(E)-7,7,7-trifluorohept-4-en-1-ol
SMILESOCCC/C=C/CC(F)(F)F
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6-11/h1,3,11H,2,4-6H2/b3-1+
InChIKeyJWEONGQDYCKMSA-HNQUOIGGSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-7,7,7-trifluorohept-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-7,7,7-trifluorohept-4-en-1-ol?
The IUPAC name of (E)-7,7,7-trifluorohept-4-en-1-ol (CID 124707485) is (E)-7,7,7-trifluorohept-4-en-1-ol.
What is the SMILES notation for (E)-7,7,7-trifluorohept-4-en-1-ol?
The canonical SMILES for (E)-7,7,7-trifluorohept-4-en-1-ol is OCCC/C=C/CC(F)(F)F.
What is the InChIKey of (E)-7,7,7-trifluorohept-4-en-1-ol?
The InChIKey is JWEONGQDYCKMSA-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6-11/h1,3,11H,2,4-6H2/b3-1+.
What are the key properties of (E)-7,7,7-trifluorohept-4-en-1-ol?
(E)-7,7,7-trifluorohept-4-en-1-ol has a molecular weight of 168.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7,7-trifluorohept-4-en-1-ol is sourced from PubChem (CID 124707485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).