1,1,3,3-tetrafluoropropan-2-imine

C3H3F4N — CID 56634863

IUPAC1,1,3,3-tetrafluoropropan-2-imine
SMILES[H]N=C(C(F)F)C(F)F
InChIInChI=1S/C3H3F4N/c4-2(5)1(8)3(6)7/h2-3,8H
InChIKeyYFPLETRCHRRZLN-UHFFFAOYSA-N
MW129.06 g/mol
LogP1.54
Rot. Bonds2

About 1,1,3,3-tetrafluoropropan-2-imine

1,1,3,3-tetrafluoropropan-2-imine (PubChem CID 56634863) has the molecular formula C3H3F4N and a molecular weight of 129.06 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoropropan-2-imine.

Molecular Properties

Compound Name1,1,3,3-tetrafluoropropan-2-imine
PubChem CID56634863
Molecular FormulaC3H3F4N
Molecular Weight129.06 g/mol
Exact Mass129.02
IUPAC Name1,1,3,3-tetrafluoropropan-2-imine
SMILES[H]N=C(C(F)F)C(F)F
InChIInChI=1S/C3H3F4N/c4-2(5)1(8)3(6)7/h2-3,8H
InChIKeyYFPLETRCHRRZLN-UHFFFAOYSA-N
XLogP1.54
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.06
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1,1,3,3-tetrafluoropropan-2-imine 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

2-Propanimine, 1,1,1,3,3,3-hexafluoro-
CID 74239
1,1,1-Trifluoropropan-2-imine
CID 15353570
1,1,1,3,3-Pentafluoroacetone, fluoroimine
CID 542801
1,1,1,3,3-Pentafluoropropan-2-imine
CID 91399528
N,1,1,1,3,3-hexafluoro-2-propanimine
CID 129635004
1,3-Difluoropropan-2-imine
CID 20530616
1,1-Difluoropropan-2-imine
CID 144150099
1,1,3-Trifluoropropan-2-imine
CID 175342801
1,1,1,3,3,3-Hexafluoropropan-2-ylideneazanium
CID 3513958
1,1,1,4,4,4-Hexafluorobutan-2-imine
CID 23234712
1,1,1,3,4,4,4-Heptafluorobutan-2-imine
CID 23234713

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoropropan-2-imine?
The IUPAC name of 1,1,3,3-tetrafluoropropan-2-imine (CID 56634863) is 1,1,3,3-tetrafluoropropan-2-imine.
What is the SMILES notation for 1,1,3,3-tetrafluoropropan-2-imine?
The canonical SMILES for 1,1,3,3-tetrafluoropropan-2-imine is [H]N=C(C(F)F)C(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoropropan-2-imine?
The InChIKey is YFPLETRCHRRZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F4N/c4-2(5)1(8)3(6)7/h2-3,8H.
What are the key properties of 1,1,3,3-tetrafluoropropan-2-imine?
1,1,3,3-tetrafluoropropan-2-imine has a molecular weight of 129.06 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoropropan-2-imine is sourced from PubChem (CID 56634863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).