1,1,1-trifluorohex-5-ene-2,3-diol

C6H9F3O2 — CID 161137428

IUPAC1,1,1-trifluorohex-5-ene-2,3-diol
SMILESC=CCC(O)C(O)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-2-3-4(10)5(11)6(7,8)9/h2,4-5,10-11H,1,3H2
InChIKeyUMZAPYKGGVVDRD-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.85
Rot. Bonds3

About 1,1,1-trifluorohex-5-ene-2,3-diol

1,1,1-trifluorohex-5-ene-2,3-diol (PubChem CID 161137428) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 1,1,1-trifluorohex-5-ene-2,3-diol.

Molecular Properties

Compound Name1,1,1-trifluorohex-5-ene-2,3-diol
PubChem CID161137428
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name1,1,1-trifluorohex-5-ene-2,3-diol
SMILESC=CCC(O)C(O)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-2-3-4(10)5(11)6(7,8)9/h2,4-5,10-11H,1,3H2
InChIKeyUMZAPYKGGVVDRD-UHFFFAOYSA-N
XLogP0.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-Pentene-1,2-diol
CID 11062320
(2R,3S)-hex-5-ene-1,2,3-triol
CID 49765126
5,5-Difluoroocta-1,7-diene-3,4-diol
CID 134856254
Pent-4-ene-1,2-diol
CID 10942356
1,7-Octadiene-4,5-diol
CID 10942542
1-Hexene-4,5-diol
CID 11137138
(4S,5S)-octa-1,7-diene-4,5-diol
CID 11320993
(2R)-pent-4-ene-1,2-diol
CID 11768514
(2S,3S)-3-fluoropent-4-ene-1,2-diol
CID 21671011
1,1,1-Trifluoro-5-hexene-2-ol
CID 10920719
3-Fluoropent-4-ene-1,2-diol
CID 14889033
1,1,1-Trifluoro-6-hepten-2-ol
CID 54107602

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorohex-5-ene-2,3-diol?
The IUPAC name of 1,1,1-trifluorohex-5-ene-2,3-diol (CID 161137428) is 1,1,1-trifluorohex-5-ene-2,3-diol.
What is the SMILES notation for 1,1,1-trifluorohex-5-ene-2,3-diol?
The canonical SMILES for 1,1,1-trifluorohex-5-ene-2,3-diol is C=CCC(O)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorohex-5-ene-2,3-diol?
The InChIKey is UMZAPYKGGVVDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-2-3-4(10)5(11)6(7,8)9/h2,4-5,10-11H,1,3H2.
What are the key properties of 1,1,1-trifluorohex-5-ene-2,3-diol?
1,1,1-trifluorohex-5-ene-2,3-diol has a molecular weight of 170.13 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohex-5-ene-2,3-diol is sourced from PubChem (CID 161137428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).