4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C11H20F3N — CID 58344235

IUPAC4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-8(2)9-3-5-10(6-4-9)15-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyRSCQMEPFNRKQKK-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.35
Rot. Bonds3

About 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 58344235) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID58344235
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-8(2)9-3-5-10(6-4-9)15-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyRSCQMEPFNRKQKK-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 58344235) is 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC(C)C1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is RSCQMEPFNRKQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-8(2)9-3-5-10(6-4-9)15-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 58344235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).