3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride

C4H7ClF5N — CID 155821090

IUPAC3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride
SMILESCl.NCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5N.ClH/c5-3(6,1-2-10)4(7,8)9;/h1-2,10H2;1H
InChIKeyNXYZYINMWSFIDA-UHFFFAOYSA-N
MW199.55 g/mol
LogP1.95
Rot. Bonds2

About 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride

3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride (PubChem CID 155821090) has the molecular formula C4H7ClF5N and a molecular weight of 199.55 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride
PubChem CID155821090
Molecular FormulaC4H7ClF5N
Molecular Weight199.55 g/mol
Exact Mass199.02
IUPAC Name3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride
SMILESCl.NCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5N.ClH/c5-3(6,1-2-10)4(7,8)9;/h1-2,10H2;1H
InChIKeyNXYZYINMWSFIDA-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.55
LogP ≤ 51.95
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

2,2,3,3,4,4,4-Heptafluorobutylamine
CID 67807
4,4,4-Trifluorobutylamine
CID 136645
2,2,3,3,4,4,4-Heptafluorobutan-1-amine--hydrogen chloride (1/1)
CID 53492763
3,3,4,4,5,5,5-Heptafluoropentan-1-amine
CID 62947884
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)
CID 187408
4,4-Difluorobutan-1-amine hydrochloride
CID 2758267
3,3,4,4,4-Pentafluorobutan-1-amine
CID 15754740
2,2,3,3-Tetrafluoropropan-1-amine hydrochloride
CID 21298755
2,2,3,3,3-Pentafluoropropylamine hydrochloride
CID 25210507
4,4,4-Trifluoro-3-(trifluoromethyl)butan-1-amine hydrochloride
CID 53407813
3,3-Difluorobutan-1-amine hydrochloride
CID 84716328

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride?
The IUPAC name of 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride (CID 155821090) is 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride.
What is the SMILES notation for 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride?
The canonical SMILES for 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride is Cl.NCCC(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride?
The InChIKey is NXYZYINMWSFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5N.ClH/c5-3(6,1-2-10)4(7,8)9;/h1-2,10H2;1H.
What are the key properties of 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride?
3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride has a molecular weight of 199.55 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 155821090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).