2,2,3,3-tetrafluoropropan-1-amine

C3H5F4N — CID 12626048

IUPAC2,2,3,3-tetrafluoropropan-1-amine
SMILESNCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4N/c4-2(5)3(6,7)1-8/h2H,1,8H2
InChIKeyZHCINVLBWAIBRN-UHFFFAOYSA-N
MW131.07 g/mol
LogP0.85
Rot. Bonds2

About 2,2,3,3-tetrafluoropropan-1-amine

2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 12626048) has the molecular formula C3H5F4N and a molecular weight of 131.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropan-1-amine
PubChem CID12626048
Molecular FormulaC3H5F4N
Molecular Weight131.07 g/mol
Exact Mass131.04
IUPAC Name2,2,3,3-tetrafluoropropan-1-amine
SMILESNCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4N/c4-2(5)3(6,7)1-8/h2H,1,8H2
InChIKeyZHCINVLBWAIBRN-UHFFFAOYSA-N
XLogP0.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.07
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
Ethanamine, 2,2,2-trifluoro-
CID 9773
3,3,3-Trifluoropropylamine
CID 10001
2,2,3,3,4,4,4-Heptafluorobutylamine
CID 67807
2,2-Difluoroethanamine
CID 136274
1,1,1,3,3,3-Hexafluoropropan-2-amine
CID 12224667
2,2,3,3,3-Pentafluoropropylamine
CID 79002
2,2,3,3,4,4,4-Heptafluorobutan-1-amine--hydrogen chloride (1/1)
CID 53492763
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propan-1-amine
CID 125424351
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
3,3,4,4,4-Pentafluorobutan-1-amine
CID 15754740

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoropropan-1-amine (CID 12626048) is 2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoropropan-1-amine is NCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is ZHCINVLBWAIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4N/c4-2(5)3(6,7)1-8/h2H,1,8H2.
What are the key properties of 2,2,3,3-tetrafluoropropan-1-amine?
2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 131.07 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 12626048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).