N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine

C9H15ClF3N — CID 65024786

IUPACN-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CCCCC1Cl
InChIInChI=1S/C9H15ClF3N/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13/h7-8,14H,1-6H2
InChIKeyPMSSZBNAYGYBBV-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.94
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine

N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 65024786) has the molecular formula C9H15ClF3N and a molecular weight of 229.67 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID65024786
Molecular FormulaC9H15ClF3N
Molecular Weight229.67 g/mol
Exact Mass229.08
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CCCCC1Cl
InChIInChI=1S/C9H15ClF3N/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13/h7-8,14H,1-6H2
InChIKeyPMSSZBNAYGYBBV-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-3-ethyl-5,5-difluoroazepane
CID 175586618
1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 65024555
N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65024571
1-(chloromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65024773
1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65024933
N-[(2-chlorocyclohexyl)methyl]-2,2-difluoroethanamine
CID 65025224
1-(chloromethyl)-N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine
CID 65029856
1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65030082
1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65030191
N-[(2-chlorocyclopentyl)methyl]-2,2-difluoroethanamine
CID 65833469
N-[(2-chlorocyclopentyl)methyl]-2,2,2-trifluoroethanamine
CID 65833660
N-[(2-chlorocyclopentyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65834274

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine (CID 65024786) is N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is PMSSZBNAYGYBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3N/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13/h7-8,14H,1-6H2.
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine?
N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 229.67 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 65024786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).