1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine

C12H15ClF3N — CID 61392785

IUPAC1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)CC(F)(F)F
InChIInChI=1S/C12H15ClF3N/c1-2-17-11(8-12(14,15)16)7-9-4-3-5-10(13)6-9/h3-6,11,17H,2,7-8H2,1H3
InChIKeyZHOUWSBUUVUJDP-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine

1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine (PubChem CID 61392785) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
PubChem CID61392785
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)CC(F)(F)F
InChIInChI=1S/C12H15ClF3N/c1-2-17-11(8-12(14,15)16)7-9-4-3-5-10(13)6-9/h3-6,11,17H,2,7-8H2,1H3
InChIKeyZHOUWSBUUVUJDP-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
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CID 60819352
1-(3-chlorophenyl)-N-ethyldecan-2-amine
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1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
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1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
CID 99783550
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine (CID 61392785) is 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine is CCNC(Cc1cccc(Cl)c1)CC(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The InChIKey is ZHOUWSBUUVUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-2-17-11(8-12(14,15)16)7-9-4-3-5-10(13)6-9/h3-6,11,17H,2,7-8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine has a molecular weight of 265.71 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 61392785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).