N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine

C10H18F3N — CID 20699942

IUPACN-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1CCCCC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)8-14-7-6-9-4-2-1-3-5-9/h9,14H,1-8H2
InChIKeyVKOJLTORGGJSAT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.11
Rot. Bonds4

About N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine

N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine (PubChem CID 20699942) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine
PubChem CID20699942
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1CCCCC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)8-14-7-6-9-4-2-1-3-5-9/h9,14H,1-8H2
InChIKeyVKOJLTORGGJSAT-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-Cyclohexylethyl)(methyl)amine
CID 43930
(Cyclohexylmethyl)(propyl)amine
CID 551629
4-(3,3,3-Trifluoropropyl)piperidine
CID 83914999
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
Pyrrolidine, 3-(4,4-difluorocyclohexyl)-
CID 89500824
2-(4,4-Difluorocyclohexyl)ethan-1-amine hydrochloride
CID 105452554
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846
Cyclohexenemethanamine, n-pentyl-
CID 567653
3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43810724
2-(2,2-Difluorocyclohexyl)ethan-1-amine
CID 83854840
4-(3,3-Difluorobutyl)piperidine
CID 84656072
8,8-Difluoro-1-azaspiro(4.5)decane hydrochloride
CID 126843941

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine (CID 20699942) is N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine?
The InChIKey is VKOJLTORGGJSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c11-10(12,13)8-14-7-6-9-4-2-1-3-5-9/h9,14H,1-8H2.
What are the key properties of N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine?
N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine has a molecular weight of 209.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 20699942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).