(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride

C6H11ClF3N — CID 127264190

IUPAC(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](C1CCC1)C(F)(F)F
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5(10)4-2-1-3-4;/h4-5H,1-3,10H2;1H/t5-;/m0./s1
InChIKeyHHUPGJBPRKSYMW-JEDNCBNOSA-N
MW189.61 g/mol
LogP2.10
Rot. Bonds1

About (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride

(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 127264190) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID127264190
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](C1CCC1)C(F)(F)F
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5(10)4-2-1-3-4;/h4-5H,1-3,10H2;1H/t5-;/m0./s1
InChIKeyHHUPGJBPRKSYMW-JEDNCBNOSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 84651643
2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine
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1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427
(1R)-1-cyclobutyl-3,3,3-trifluoropropan-1-amine
CID 55293378
cyclobutylmethanediamine
CID 141249006
cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105187570
1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine
CID 105446877
(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine
CID 144787935
tert-butyl 4-[(1S)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731661
tert-butyl 4-[(1R)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731662
1-(1-cyclobutyl-2-fluoro-2-methylpropyl)cyclopropan-1-amine
CID 105441788
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
CID 87873280

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride (CID 127264190) is (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride is Cl.N[C@@H](C1CCC1)C(F)(F)F.
What is the InChIKey of (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is HHUPGJBPRKSYMW-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c7-6(8,9)5(10)4-2-1-3-4;/h4-5H,1-3,10H2;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 127264190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).