1,1,1-trifluoropropan-2-yl hypofluorite

C3H4F4O — CID 18924249

IUPAC1,1,1-trifluoropropan-2-yl hypofluorite
SMILESCC(OF)C(F)(F)F
InChIInChI=1S/C3H4F4O/c1-2(8-7)3(4,5)6/h2H,1H3
InChIKeyBLMCMOCEMGCJRT-UHFFFAOYSA-N
MW132.06 g/mol
LogP1.84
Rot. Bonds1

About 1,1,1-trifluoropropan-2-yl hypofluorite

1,1,1-trifluoropropan-2-yl hypofluorite (PubChem CID 18924249) has the molecular formula C3H4F4O and a molecular weight of 132.06 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl hypofluorite.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl hypofluorite
PubChem CID18924249
Molecular FormulaC3H4F4O
Molecular Weight132.06 g/mol
Exact Mass132.02
IUPAC Name1,1,1-trifluoropropan-2-yl hypofluorite
SMILESCC(OF)C(F)(F)F
InChIInChI=1S/C3H4F4O/c1-2(8-7)3(4,5)6/h2H,1H3
InChIKeyBLMCMOCEMGCJRT-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.06
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoropropan-2-yl hypofluorite 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

Hexafluoroisopropyl methyl ether
CID 25749
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
1,1,1,3,3,3-Hexafluoro-2-propaneolate
CID 4080351
2-(Trifluoromethoxy)propane
CID 21068678
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770
Lithium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 23673051
Sodium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 23676101
d2-Hexafluoroisopropanol
CID 140845523
2-Ethoxy-1,1,1,3,3,3-hexafluoropropane
CID 22178536
1,1,1,3,3,3-Hexafluoropropan-2-yl hypobromite
CID 172868430
1,1,1,3,3,3-Hexafluoropropan-2-yl hypofluorite
CID 20089354
Trifluoro(1,1,1-trifluoropropan-2-yloxy)-lambda4-sulfane
CID 20502403

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl hypofluorite?
The IUPAC name of 1,1,1-trifluoropropan-2-yl hypofluorite (CID 18924249) is 1,1,1-trifluoropropan-2-yl hypofluorite.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl hypofluorite?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl hypofluorite is CC(OF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl hypofluorite?
The InChIKey is BLMCMOCEMGCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O/c1-2(8-7)3(4,5)6/h2H,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl hypofluorite?
1,1,1-trifluoropropan-2-yl hypofluorite has a molecular weight of 132.06 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl hypofluorite is sourced from PubChem (CID 18924249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).