ethane;3,3,3-trifluoroprop-1-en-2-ol

C5H9F3O — CID 142267098

IUPACethane;3,3,3-trifluoroprop-1-en-2-ol
SMILESC=C(O)C(F)(F)F.CC
InChIInChI=1S/C3H3F3O.C2H6/c1-2(7)3(4,5)6;1-2/h7H,1H2;1-2H3
InChIKeyVWPRSMXMNMUCDG-UHFFFAOYSA-N
MW142.12 g/mol
LogP2.65
Rot. Bonds

About ethane;3,3,3-trifluoroprop-1-en-2-ol

ethane;3,3,3-trifluoroprop-1-en-2-ol (PubChem CID 142267098) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is ethane;3,3,3-trifluoroprop-1-en-2-ol.

Molecular Properties

Compound Nameethane;3,3,3-trifluoroprop-1-en-2-ol
PubChem CID142267098
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Nameethane;3,3,3-trifluoroprop-1-en-2-ol
SMILESC=C(O)C(F)(F)F.CC
InChIInChI=1S/C3H3F3O.C2H6/c1-2(7)3(4,5)6;1-2/h7H,1H2;1-2H3
InChIKeyVWPRSMXMNMUCDG-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;3,3,3-trifluoroprop-1-en-2-ol 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

3-chloro-3,3-difluoroprop-1-en-2-ol
CID 138715829
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
CID 145372548
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
formic acid;3,3,3-trifluoro-2-methylprop-1-ene
CID 169187279
3,3,4,4-tetramethylpent-1-en-2-ol
CID 89381848
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine
CID 162621100
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
methanimine;2,2,2-trifluoroacetic acid
CID 87715622

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,3-trifluoroprop-1-en-2-ol?
The IUPAC name of ethane;3,3,3-trifluoroprop-1-en-2-ol (CID 142267098) is ethane;3,3,3-trifluoroprop-1-en-2-ol.
What is the SMILES notation for ethane;3,3,3-trifluoroprop-1-en-2-ol?
The canonical SMILES for ethane;3,3,3-trifluoroprop-1-en-2-ol is C=C(O)C(F)(F)F.CC.
What is the InChIKey of ethane;3,3,3-trifluoroprop-1-en-2-ol?
The InChIKey is VWPRSMXMNMUCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O.C2H6/c1-2(7)3(4,5)6;1-2/h7H,1H2;1-2H3.
What are the key properties of ethane;3,3,3-trifluoroprop-1-en-2-ol?
ethane;3,3,3-trifluoroprop-1-en-2-ol has a molecular weight of 142.12 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoroprop-1-en-2-ol is sourced from PubChem (CID 142267098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).