1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine

C10H10F5N — CID 43491310

IUPAC1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-2-16-9(10(13,14)15)6-3-4-7(11)8(12)5-6/h3-5,9,16H,2H2,1H3
InChIKeyJXEIPDAIQVLYCY-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.18
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine

1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 43491310) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID43491310
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-2-16-9(10(13,14)15)6-3-4-7(11)8(12)5-6/h3-5,9,16H,2H2,1H3
InChIKeyJXEIPDAIQVLYCY-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 79197452
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725875
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66476109

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine (CID 43491310) is 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1ccc(F)c(F)c1)C(F)(F)F.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is JXEIPDAIQVLYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-2-16-9(10(13,14)15)6-3-4-7(11)8(12)5-6/h3-5,9,16H,2H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 239.19 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43491310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).