N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine

C12H14F5N — CID 103775814

IUPACN-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H14F5N/c1-7(6-12(15,16)17)18-8(2)10-4-3-9(13)5-11(10)14/h3-5,7-8,18H,6H2,1-2H3
InChIKeyGRMRBHIKKZZXOM-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine

N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 103775814) has the molecular formula C12H14F5N and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
PubChem CID103775814
Molecular FormulaC12H14F5N
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H14F5N/c1-7(6-12(15,16)17)18-8(2)10-4-3-9(13)5-11(10)14/h3-5,7-8,18H,6H2,1-2H3
InChIKeyGRMRBHIKKZZXOM-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromo-4-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860307
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
5-methyl-2-[1-(4,4,4-trifluorobutan-2-ylamino)ethyl]phenol
CID 113463320
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
CID 104860347
1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
CID 43694819

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine (CID 103775814) is N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is GRMRBHIKKZZXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N/c1-7(6-12(15,16)17)18-8(2)10-4-3-9(13)5-11(10)14/h3-5,7-8,18H,6H2,1-2H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine?
N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 267.24 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 103775814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).