2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride

C4H5ClF7N — CID 53492763

IUPAC2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride
SMILESCl.NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F7N.ClH/c5-2(6,1-12)3(7,8)4(9,10)11;/h1,12H2;1H
InChIKeyOUYUHKFQCFFSBF-UHFFFAOYSA-N
MW235.53 g/mol
LogP2.20
Rot. Bonds2

About 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride

2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride (PubChem CID 53492763) has the molecular formula C4H5ClF7N and a molecular weight of 235.53 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride
PubChem CID53492763
Molecular FormulaC4H5ClF7N
Molecular Weight235.53 g/mol
Exact Mass235.00
IUPAC Name2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride
SMILESCl.NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F7N.ClH/c5-2(6,1-12)3(7,8)4(9,10)11;/h1,12H2;1H
InChIKeyOUYUHKFQCFFSBF-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.53
LogP ≤ 52.20
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
2,2,3,3,4,4,5,5,5-Nonafluoropentan-1-amine
CID 2769669
2,2,3,3,3-Pentafluoropropylamine
CID 79002
2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propan-1-amine
CID 125424351
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
2,2-Difluorobutan-1-amine hydrochloride
CID 71755557
3,3,4,4,4-Pentafluorobutan-1-amine hydrochloride
CID 155821090
2,2,3,3-Tetrafluoroputrescine
CID 3080548

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride (CID 53492763) is 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride is Cl.NCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride?
The InChIKey is OUYUHKFQCFFSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F7N.ClH/c5-2(6,1-12)3(7,8)4(9,10)11;/h1,12H2;1H.
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride?
2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride has a molecular weight of 235.53 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 53492763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).