CID 5464246

C2H2F3O — CID 5464246

IUPAC—
SMILES[O]CC(F)(F)F
InChIInChI=1S/C2H2F3O/c3-2(4,5)1-6/h1H2
InChIKeySEHAXLDZJMQOCZ-UHFFFAOYSA-N
MW99.03 g/mol
LogP0.98
Rot. Bonds

About CID 5464246

CID 5464246 (PubChem CID 5464246) has the molecular formula C2H2F3O and a molecular weight of 99.03 g/mol.

Molecular Properties

Compound NameCID 5464246
PubChem CID5464246
Molecular FormulaC2H2F3O
Molecular Weight99.03 g/mol
Exact Mass99.01
IUPAC Name—
SMILES[O]CC(F)(F)F
InChIInChI=1S/C2H2F3O/c3-2(4,5)1-6/h1H2
InChIKeySEHAXLDZJMQOCZ-UHFFFAOYSA-N
XLogP0.98
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.03
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,2-Trifluoroethanol
CID 6409
2,2-Difluoroethan-1-ol
CID 136187
(1,1-2H2)-2,2,2-Trifluoroetane-1-(2H)ol
CID 2724851
2,2,2-Trifluoroethan(ol-d)
CID 12255975
2,2,2-Trifluoroethanol-1,1-d2
CID 12255976
1,2,2-Trifluoroethanol
CID 17896683
1,2,2,2-Tetrafluoroethanol
CID 19350069
1,2-Difluorethanol
CID 21652117
Trifluoroethanol-water
CID 87521027
2,2-Difluoroethene-1-ol
CID 22970076
Rutherfordium;2,2,2-trifluoroethanol
CID 59890193
Rutherfordium;1,2,2,2-tetrafluoroethanol
CID 59927744

Frequently Asked Questions

What is the IUPAC name of CID 5464246?
The IUPAC name of CID 5464246 (CID 5464246) is not available.
What is the SMILES notation for CID 5464246?
The canonical SMILES for CID 5464246 is [O]CC(F)(F)F.
What is the InChIKey of CID 5464246?
The InChIKey is SEHAXLDZJMQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3O/c3-2(4,5)1-6/h1H2.
What are the key properties of CID 5464246?
CID 5464246 has a molecular weight of 99.03 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5464246 is sourced from PubChem (CID 5464246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).