1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine

C14H18F5N — CID 115517335

IUPAC1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C14H18F5N/c1-2-9-20-12(7-4-8-14(17,18)19)13-10(15)5-3-6-11(13)16/h3,5-6,12,20H,2,4,7-9H2,1H3
InChIKeyPRQXYFLBGVHKDQ-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.74
Rot. Bonds7

About 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 115517335) has the molecular formula C14H18F5N and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID115517335
Molecular FormulaC14H18F5N
Molecular Weight295.29 g/mol
Exact Mass295.14
IUPAC Name1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C14H18F5N/c1-2-9-20-12(7-4-8-14(17,18)19)13-10(15)5-3-6-11(13)16/h3,5-6,12,20H,2,4,7-9H2,1H3
InChIKeyPRQXYFLBGVHKDQ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024003
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
1-(2-bromo-6-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 114886948
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 115517335) is 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is PRQXYFLBGVHKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5N/c1-2-9-20-12(7-4-8-14(17,18)19)13-10(15)5-3-6-11(13)16/h3,5-6,12,20H,2,4,7-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 295.29 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 115517335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).