1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine

C15H20F5N — CID 115516838

IUPAC1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)Cc1ccc(F)cc1F
InChIInChI=1S/C15H20F5N/c1-2-8-21-13(4-3-7-15(18,19)20)9-11-5-6-12(16)10-14(11)17/h5-6,10,13,21H,2-4,7-9H2,1H3
InChIKeyAFISWRVNVULQTG-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.61
Rot. Bonds8

About 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine

1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine (PubChem CID 115516838) has the molecular formula C15H20F5N and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
PubChem CID115516838
Molecular FormulaC15H20F5N
Molecular Weight309.32 g/mol
Exact Mass309.15
IUPAC Name1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)Cc1ccc(F)cc1F
InChIInChI=1S/C15H20F5N/c1-2-8-21-13(4-3-7-15(18,19)20)9-11-5-6-12(16)10-14(11)17/h5-6,10,13,21H,2-4,7-9H2,1H3
InChIKeyAFISWRVNVULQTG-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793
1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025007
1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine
CID 64561596
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376
1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine (CID 115516838) is 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The InChIKey is AFISWRVNVULQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F5N/c1-2-8-21-13(4-3-7-15(18,19)20)9-11-5-6-12(16)10-14(11)17/h5-6,10,13,21H,2-4,7-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine has a molecular weight of 309.32 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine is sourced from PubChem (CID 115516838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).