5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine

C14H19F4N — CID 64564942

IUPAC5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C14H19F4N/c1-2-9-19-13(7-8-14(16,17)18)10-11-3-5-12(15)6-4-11/h3-6,13,19H,2,7-10H2,1H3
InChIKeyIEGGQVXSFHVBJD-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.08
Rot. Bonds7

About 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine

5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine (PubChem CID 64564942) has the molecular formula C14H19F4N and a molecular weight of 277.30 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
PubChem CID64564942
Molecular FormulaC14H19F4N
Molecular Weight277.30 g/mol
Exact Mass277.15
IUPAC Name5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C14H19F4N/c1-2-9-19-13(7-8-14(16,17)18)10-11-3-5-12(15)6-4-11/h3-6,13,19H,2,7-10H2,1H3
InChIKeyIEGGQVXSFHVBJD-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine (CID 64564942) is 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1ccc(F)cc1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine?
The InChIKey is IEGGQVXSFHVBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-2-9-19-13(7-8-14(16,17)18)10-11-3-5-12(15)6-4-11/h3-6,13,19H,2,7-10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine?
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine has a molecular weight of 277.30 g/mol, XLogP of 4.08, 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-(4-fluorophenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64564942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).