2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C16H28F3NO — CID 63827135

IUPAC2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)COCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H28F3NO/c17-16(18,19)12-21-11-10-20-15-9-5-4-8-14(15)13-6-2-1-3-7-13/h13-15,20H,1-12H2
InChIKeyFESIZPLBIHKKMQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.29
Rot. Bonds6

About 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 63827135) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID63827135
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)COCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H28F3NO/c17-16(18,19)12-21-11-10-20-15-9-5-4-8-14(15)13-6-2-1-3-7-13/h13-15,20H,1-12H2
InChIKeyFESIZPLBIHKKMQ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 54961752
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961803
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
N-[(2-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55013669
N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine
CID 55032056
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733032
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733195

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 63827135) is 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is FC(F)(F)COCCNC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is FESIZPLBIHKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c17-16(18,19)12-21-11-10-20-15-9-5-4-8-14(15)13-6-2-1-3-7-13/h13-15,20H,1-12H2.
What are the key properties of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63827135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).