1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine

C13H16ClF4N — CID 102619141

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H16ClF4N/c1-2-19-11(5-6-13(16,17)18)8-9-7-10(15)3-4-12(9)14/h3-4,7,11,19H,2,5-6,8H2,1H3
InChIKeyFGUCYDCPAATTGR-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.34
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine (PubChem CID 102619141) has the molecular formula C13H16ClF4N and a molecular weight of 297.72 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
PubChem CID102619141
Molecular FormulaC13H16ClF4N
Molecular Weight297.72 g/mol
Exact Mass297.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H16ClF4N/c1-2-19-11(5-6-13(16,17)18)8-9-7-10(15)3-4-12(9)14/h3-4,7,11,19H,2,5-6,8H2,1H3
InChIKeyFGUCYDCPAATTGR-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
CID 102619050
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
[1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248918

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine (CID 102619141) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine is CCNC(CCC(F)(F)F)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is FGUCYDCPAATTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF4N/c1-2-19-11(5-6-13(16,17)18)8-9-7-10(15)3-4-12(9)14/h3-4,7,11,19H,2,5-6,8H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 297.72 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 102619141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).