N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine

C14H26F3N — CID 79954460

IUPACN-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCCCC1CC
InChIInChI=1S/C14H26F3N/c1-3-11-7-5-6-8-12(11)13(18-4-2)9-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyFZXURQRHILTDQU-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.52
Rot. Bonds6

About N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine

N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 79954460) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
PubChem CID79954460
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCCCC1CC
InChIInChI=1S/C14H26F3N/c1-3-11-7-5-6-8-12(11)13(18-4-2)9-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyFZXURQRHILTDQU-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine (CID 79954460) is N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)C1CCCCC1CC.
What is the InChIKey of N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is FZXURQRHILTDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N/c1-3-11-7-5-6-8-12(11)13(18-4-2)9-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 79954460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).