N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride

C6H13ClF3N — CID 43810698

IUPACN-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride
SMILESCCCCNCC(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-2-3-4-10-5-6(7,8)9;/h10H,2-5H2,1H3;1H
InChIKeyFMLMUMIQZZHYNX-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.36
Rot. Bonds4

About N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride

N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride (PubChem CID 43810698) has the molecular formula C6H13ClF3N and a molecular weight of 191.62 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride
PubChem CID43810698
Molecular FormulaC6H13ClF3N
Molecular Weight191.62 g/mol
Exact Mass191.07
IUPAC NameN-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride
SMILESCCCCNCC(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-2-3-4-10-5-6(7,8)9;/h10H,2-5H2,1H3;1H
InChIKeyFMLMUMIQZZHYNX-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride (CID 43810698) is N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride is CCCCNCC(F)(F)F.Cl.
What is the InChIKey of N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride?
The InChIKey is FMLMUMIQZZHYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N.ClH/c1-2-3-4-10-5-6(7,8)9;/h10H,2-5H2,1H3;1H.
What are the key properties of N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride?
N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 43810698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).