N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine

C11H19ClF3N — CID 107489081

IUPACN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine
SMILESFC(F)(F)CN(CCCl)C1CCCCCC1
InChIInChI=1S/C11H19ClF3N/c12-7-8-16(9-11(13,14)15)10-5-3-1-2-4-6-10/h10H,1-9H2
InChIKeyJJMJDBWJUWGVTP-UHFFFAOYSA-N
MW257.73 g/mol
LogP3.81
Rot. Bonds4

About N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine (PubChem CID 107489081) has the molecular formula C11H19ClF3N and a molecular weight of 257.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine
PubChem CID107489081
Molecular FormulaC11H19ClF3N
Molecular Weight257.73 g/mol
Exact Mass257.12
IUPAC NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine
SMILESFC(F)(F)CN(CCCl)C1CCCCCC1
InChIInChI=1S/C11H19ClF3N/c12-7-8-16(9-11(13,14)15)10-5-3-1-2-4-6-10/h10H,1-9H2
InChIKeyJJMJDBWJUWGVTP-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.73
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N-(2-chloroethyl)-N-(4,4,4-trifluorobutyl)cyclohexanamine
CID 115518352
N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine
CID 102861416
N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
CID 107489173
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
N,N-diethyl-N'-piperidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 64852960
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 103748156
N'-cyclopropyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554163
1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 55009113
N-(cyclopentylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64850426

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine (CID 107489081) is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine is FC(F)(F)CN(CCCl)C1CCCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine?
The InChIKey is JJMJDBWJUWGVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3N/c12-7-8-16(9-11(13,14)15)10-5-3-1-2-4-6-10/h10H,1-9H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine?
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine has a molecular weight of 257.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine is sourced from PubChem (CID 107489081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).