1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride

C6H11ClF3N — CID 135354981

IUPAC1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(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
InChIKeyHHUPGJBPRKSYMW-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.10
Rot. Bonds1

About 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride

1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 135354981) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID135354981
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(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
InChIKeyHHUPGJBPRKSYMW-UHFFFAOYSA-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

Analyze 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclobutylethanamine hydrochloride
CID 66636997
(1R)-1-cyclobutylethan-1-amine hydrochloride
CID 69658276
2-(3,3-Difluorocyclobutyl)ethan-1-amine hydrochloride
CID 90317583
1-(3,3-Difluorocyclobutyl)ethan-1-amine hydrochloride
CID 105435006
3-(Difluoromethyl)cyclobutan-1-amine hydrochloride
CID 112756550
(1s,3s)-3-(Trifluoromethyl)cyclobutan-1-amine hydrochloride
CID 119031446
(2,2-Difluorocyclobutyl)methanamine hydrochloride
CID 127263313
3-(2,2,2-Trifluoroethyl)cyclobutan-1-amine hydrochloride
CID 138040508
(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethan-1-amine hydrochloride
CID 155820879
1-(3,3-Difluorocyclobutyl)methanamine
CID 45480376
3-(Trifluoromethyl)cyclobutanamine
CID 50989715
(1R,2R)-2-(Trifluoromethyl)cyclobutan-1-amine
CID 52421051

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride (CID 135354981) is 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride is Cl.NC(C1CCC1)C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is HHUPGJBPRKSYMW-UHFFFAOYSA-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.
What are the key properties of 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride?
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 1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 135354981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).