N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine

C9H15ClF3N — CID 107489173

IUPACN-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CN(CCCl)CC1CCC1
InChIInChI=1S/C9H15ClF3N/c10-4-5-14(7-9(11,12)13)6-8-2-1-3-8/h8H,1-7H2
InChIKeyYKWXUMLTRFIOEW-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.89
Rot. Bonds5

About N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine

N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 107489173) has the molecular formula C9H15ClF3N and a molecular weight of 229.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
PubChem CID107489173
Molecular FormulaC9H15ClF3N
Molecular Weight229.67 g/mol
Exact Mass229.08
IUPAC NameN-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CN(CCCl)CC1CCC1
InChIInChI=1S/C9H15ClF3N/c10-4-5-14(7-9(11,12)13)6-8-2-1-3-8/h8H,1-7H2
InChIKeyYKWXUMLTRFIOEW-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine 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

N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494751
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(2-chloroethyl)-2,2,2-trifluoroethanamine
CID 107489188
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine
CID 107489081
5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120901635
N'-(2-chloroethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107488929
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 107488854
3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111461931
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
(E)-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107897841
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107901329
N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine (CID 107489173) is N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CN(CCCl)CC1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is YKWXUMLTRFIOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3N/c10-4-5-14(7-9(11,12)13)6-8-2-1-3-8/h8H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine?
N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 229.67 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107489173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).