4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

C13H24F3NO — CID 62621972

IUPAC4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCC1CCC(N)(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-11-4-7-12(17,8-5-11)6-3-9-18-10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyMKKDPFCIFOHXFL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds6

About 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 62621972) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID62621972
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCC1CCC(N)(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-11-4-7-12(17,8-5-11)6-3-9-18-10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyMKKDPFCIFOHXFL-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 62621972) is 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CCC1CCC(N)(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is MKKDPFCIFOHXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-11-4-7-12(17,8-5-11)6-3-9-18-10-13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 62621972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).