5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine

C14H19F4N — CID 115516684

IUPAC5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C14H19F4N/c1-2-10-19-13(8-5-9-14(16,17)18)11-6-3-4-7-12(11)15/h3-4,6-7,13,19H,2,5,8-10H2,1H3
InChIKeyQSYUEJINTBVDDJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.60
Rot. Bonds7

About 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine (PubChem CID 115516684) has the molecular formula C14H19F4N and a molecular weight of 277.30 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
PubChem CID115516684
Molecular FormulaC14H19F4N
Molecular Weight277.30 g/mol
Exact Mass277.15
IUPAC Name5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C14H19F4N/c1-2-10-19-13(8-5-9-14(16,17)18)11-6-3-4-7-12(11)15/h3-4,6-7,13,19H,2,5,8-10H2,1H3
InChIKeyQSYUEJINTBVDDJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024003
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024009
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106858377
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine (CID 115516684) is 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine?
The InChIKey is QSYUEJINTBVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-2-10-19-13(8-5-9-14(16,17)18)11-6-3-4-7-12(11)15/h3-4,6-7,13,19H,2,5,8-10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine has a molecular weight of 277.30 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 115516684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).