1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

C13H16F5N — CID 115516524

IUPAC1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F5N/c1-2-19-12(4-3-5-13(16,17)18)9-6-10(14)8-11(15)7-9/h6-8,12,19H,2-5H2,1H3
InChIKeyXUYZDPBIRPMXFS-UHFFFAOYSA-N
MW281.27 g/mol
LogP4.35
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (PubChem CID 115516524) has the molecular formula C13H16F5N and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
PubChem CID115516524
Molecular FormulaC13H16F5N
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F5N/c1-2-19-12(4-3-5-13(16,17)18)9-6-10(14)8-11(15)7-9/h6-8,12,19H,2-5H2,1H3
InChIKeyXUYZDPBIRPMXFS-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
1-(3-bromo-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 66423655
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 113292116
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023875
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107946545
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107539337
N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine
CID 103374480
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (CID 115516524) is 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is CCNC(CCCC(F)(F)F)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The InChIKey is XUYZDPBIRPMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5N/c1-2-19-12(4-3-5-13(16,17)18)9-6-10(14)8-11(15)7-9/h6-8,12,19H,2-5H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine has a molecular weight of 281.27 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115516524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).