1,2,2,3,3-pentafluoropropan-1-amine

C3H4F5N — CID 18551453

IUPAC1,2,2,3,3-pentafluoropropan-1-amine
SMILESNC(F)C(F)(F)C(F)F
InChIInChI=1S/C3H4F5N/c4-1(5)3(7,8)2(6)9/h1-2H,9H2
InChIKeyZHCUBBOWSYRULK-UHFFFAOYSA-N
MW149.06 g/mol
LogP1.14
Rot. Bonds2

About 1,2,2,3,3-pentafluoropropan-1-amine

1,2,2,3,3-pentafluoropropan-1-amine (PubChem CID 18551453) has the molecular formula C3H4F5N and a molecular weight of 149.06 g/mol. Its IUPAC name is 1,2,2,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name1,2,2,3,3-pentafluoropropan-1-amine
PubChem CID18551453
Molecular FormulaC3H4F5N
Molecular Weight149.06 g/mol
Exact Mass149.03
IUPAC Name1,2,2,3,3-pentafluoropropan-1-amine
SMILESNC(F)C(F)(F)C(F)F
InChIInChI=1S/C3H4F5N/c4-1(5)3(7,8)2(6)9/h1-2H,9H2
InChIKeyZHCUBBOWSYRULK-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.06
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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 1,2,2,3,3-pentafluoropropan-1-amine?
The IUPAC name of 1,2,2,3,3-pentafluoropropan-1-amine (CID 18551453) is 1,2,2,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 1,2,2,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 1,2,2,3,3-pentafluoropropan-1-amine is NC(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3-pentafluoropropan-1-amine?
The InChIKey is ZHCUBBOWSYRULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5N/c4-1(5)3(7,8)2(6)9/h1-2H,9H2.
What are the key properties of 1,2,2,3,3-pentafluoropropan-1-amine?
1,2,2,3,3-pentafluoropropan-1-amine has a molecular weight of 149.06 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 18551453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).