1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine

C11H12Cl2F3N — CID 105024184

IUPAC1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
SMILESNC(CCCC(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2F3N/c12-8-4-7(5-9(13)6-8)10(17)2-1-3-11(14,15)16/h4-6,10H,1-3,17H2
InChIKeyHISADGJRUHBXBL-UHFFFAOYSA-N
MW286.12 g/mol
LogP4.73
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine

1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 105024184) has the molecular formula C11H12Cl2F3N and a molecular weight of 286.12 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
PubChem CID105024184
Molecular FormulaC11H12Cl2F3N
Molecular Weight286.12 g/mol
Exact Mass285.03
IUPAC Name1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
SMILESNC(CCCC(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2F3N/c12-8-4-7(5-9(13)6-8)10(17)2-1-3-11(14,15)16/h4-6,10H,1-3,17H2
InChIKeyHISADGJRUHBXBL-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171219105
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024152
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
5-[(1R)-1-amino-4,4,4-trifluorobutyl]benzene-1,3-diol;hydrochloride
CID 171199900
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260
(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171224083
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 171218098
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 113326937

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine (CID 105024184) is 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine is NC(CCCC(F)(F)F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is HISADGJRUHBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3N/c12-8-4-7(5-9(13)6-8)10(17)2-1-3-11(14,15)16/h4-6,10H,1-3,17H2.
What are the key properties of 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine?
1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 286.12 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105024184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).