2,2,3,3-tetrafluoropropan-1-amine;hydrochloride

C3H6ClF4N — CID 21298755

IUPAC2,2,3,3-tetrafluoropropan-1-amine;hydrochloride
SMILESCl.NCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4N.ClH/c4-2(5)3(6,7)1-8;/h2H,1,8H2;1H
InChIKeyXALAKNVRDOVOGD-UHFFFAOYSA-N
MW167.53 g/mol
LogP1.27
Rot. Bonds2

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

2,2,3,3-tetrafluoropropan-1-amine;hydrochloride (PubChem CID 21298755) has the molecular formula C3H6ClF4N and a molecular weight of 167.53 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropan-1-amine;hydrochloride
PubChem CID21298755
Molecular FormulaC3H6ClF4N
Molecular Weight167.53 g/mol
Exact Mass167.01
IUPAC Name2,2,3,3-tetrafluoropropan-1-amine;hydrochloride
SMILESCl.NCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4N.ClH/c4-2(5)3(6,7)1-8;/h2H,1,8H2;1H
InChIKeyXALAKNVRDOVOGD-UHFFFAOYSA-N
XLogP1.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.53
LogP ≤ 51.27
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
2,2,3,3,3-Pentafluoropropylamine
CID 79002
2,2,3,3,4,4,4-Heptafluorobutan-1-amine--hydrogen chloride (1/1)
CID 53492763
2,2-Difluoroethan-1-amine hydrochloride
CID 18352163
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
2,2-Difluoropropylamine hydrochloride
CID 2758355
2,2,3,3,3-Pentafluoropropylamine hydrochloride
CID 25210507

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride?
The IUPAC name of 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride (CID 21298755) is 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride.
What is the SMILES notation for 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride?
The canonical SMILES for 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride is Cl.NCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride?
The InChIKey is XALAKNVRDOVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4N.ClH/c4-2(5)3(6,7)1-8;/h2H,1,8H2;1H.
What are the key properties of 2,2,3,3-tetrafluoropropan-1-amine;hydrochloride?
2,2,3,3-tetrafluoropropan-1-amine;hydrochloride has a molecular weight of 167.53 g/mol, XLogP of 1.27, 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;hydrochloride is sourced from PubChem (CID 21298755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).