7,7,7-trifluorohept-4-ene-1,2-diol

C7H11F3O2 — CID 91273143

IUPAC7,7,7-trifluorohept-4-ene-1,2-diol
SMILESOCC(O)CC=CCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c8-7(9,10)4-2-1-3-6(12)5-11/h1-2,6,11-12H,3-5H2
InChIKeyDDOHAAFGPUINED-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.24
Rot. Bonds4

About 7,7,7-trifluorohept-4-ene-1,2-diol

7,7,7-trifluorohept-4-ene-1,2-diol (PubChem CID 91273143) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 7,7,7-trifluorohept-4-ene-1,2-diol.

Molecular Properties

Compound Name7,7,7-trifluorohept-4-ene-1,2-diol
PubChem CID91273143
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name7,7,7-trifluorohept-4-ene-1,2-diol
SMILESOCC(O)CC=CCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c8-7(9,10)4-2-1-3-6(12)5-11/h1-2,6,11-12H,3-5H2
InChIKeyDDOHAAFGPUINED-UHFFFAOYSA-N
XLogP1.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,7,7-trifluorohept-4-ene-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

(E)-7,7,7-trifluorohept-4-en-1-ol
CID 124707485
(2S,3S)-3-fluoropent-4-ene-1,2-diol
CID 21671011
(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol
CID 101364298
(1S,2R)-6,6-difluorocyclohex-3-ene-1,2-diol
CID 102030365
3-Fluoropent-4-ene-1,2-diol
CID 14889033
(2R,3S,5E)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 57737825
6,6,6-Trifluorohex-4-en-1-ol
CID 85795269
1-Trifluoromethyl-3-pentene-1-ol
CID 88094649
(E)-1,1,1-trifluorooct-4-en-2-ol
CID 88095750
(3S,5E)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 88283532
(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 90721431
1,1,1-Trifluorooct-4-en-2-ol
CID 91108415

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluorohept-4-ene-1,2-diol?
The IUPAC name of 7,7,7-trifluorohept-4-ene-1,2-diol (CID 91273143) is 7,7,7-trifluorohept-4-ene-1,2-diol.
What is the SMILES notation for 7,7,7-trifluorohept-4-ene-1,2-diol?
The canonical SMILES for 7,7,7-trifluorohept-4-ene-1,2-diol is OCC(O)CC=CCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluorohept-4-ene-1,2-diol?
The InChIKey is DDOHAAFGPUINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)4-2-1-3-6(12)5-11/h1-2,6,11-12H,3-5H2.
What are the key properties of 7,7,7-trifluorohept-4-ene-1,2-diol?
7,7,7-trifluorohept-4-ene-1,2-diol has a molecular weight of 184.16 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluorohept-4-ene-1,2-diol is sourced from PubChem (CID 91273143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).