N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H24F3NO — CID 43435249

IUPACN-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)10-19-13-8-4-7-12(9-13)18-11-5-2-1-3-6-11/h11-13,18H,1-10H2
InChIKeyZEHGEGMGHKWJKO-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.80
Rot. Bonds4

About N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435249) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435249
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)10-19-13-8-4-7-12(9-13)18-11-5-2-1-3-6-11/h11-13,18H,1-10H2
InChIKeyZEHGEGMGHKWJKO-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435249) is N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is ZEHGEGMGHKWJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)10-19-13-8-4-7-12(9-13)18-11-5-2-1-3-6-11/h11-13,18H,1-10H2.
What are the key properties of N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).