5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine

C11H13F4N — CID 82534562

IUPAC5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine
SMILESNCCC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F4N/c12-10-3-1-8(2-4-10)9(5-6-16)7-11(13,14)15/h1-4,9H,5-7,16H2
InChIKeyIYHNRBZTIJFTCH-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.21
Rot. Bonds4

About 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine

5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine (PubChem CID 82534562) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine
PubChem CID82534562
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine
SMILESNCCC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F4N/c12-10-3-1-8(2-4-10)9(5-6-16)7-11(13,14)15/h1-4,9H,5-7,16H2
InChIKeyIYHNRBZTIJFTCH-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine
CID 82534567
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
4-amino-2-(4-fluorophenyl)butan-1-ol
CID 115016455
3-(3,4-dimethoxyphenyl)-5,5,5-trifluoropentan-1-amine
CID 82534545
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
1-(1-chloro-3,3,3-trifluoropropyl)-4-fluorobenzene
CID 61083121
2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706114
4-cyclopentyl-2-(4-fluorophenyl)butan-1-amine
CID 114192542
(5-bromo-1,1,1-trifluoropentan-3-yl)benzene
CID 54284721
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
2-(4-fluorophenyl)hexan-1-amine
CID 79442321

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine (CID 82534562) is 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine is NCCC(CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine?
The InChIKey is IYHNRBZTIJFTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c12-10-3-1-8(2-4-10)9(5-6-16)7-11(13,14)15/h1-4,9H,5-7,16H2.
What are the key properties of 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine?
5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine has a molecular weight of 235.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 82534562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).