(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride

C13H18ClF4N — CID 171202599

IUPAC(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H17F4N.ClH/c1-2-3-4-5-12(18)9-6-7-11(14)10(8-9)13(15,16)17;/h6-8,12H,2-5,18H2,1H3;1H/t12-;/m1./s1
InChIKeyFHNPUJYNGDGVCH-UTONKHPSSA-N
MW299.74 g/mol
LogP4.85
Rot. Bonds5

About (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride

(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride (PubChem CID 171202599) has the molecular formula C13H18ClF4N and a molecular weight of 299.74 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
PubChem CID171202599
Molecular FormulaC13H18ClF4N
Molecular Weight299.74 g/mol
Exact Mass299.11
IUPAC Name(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H17F4N.ClH/c1-2-3-4-5-12(18)9-6-7-11(14)10(8-9)13(15,16)17;/h6-8,12H,2-5,18H2,1H3;1H/t12-;/m1./s1
InChIKeyFHNPUJYNGDGVCH-UTONKHPSSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171222149
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171222184
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
1-[4-bromo-3-(trifluoromethyl)phenyl]heptan-1-amine
CID 115833310
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171161305
3-(3,4-difluorophenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 139022832
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride (CID 171202599) is (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccc(F)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
The InChIKey is FHNPUJYNGDGVCH-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17F4N.ClH/c1-2-3-4-5-12(18)9-6-7-11(14)10(8-9)13(15,16)17;/h6-8,12H,2-5,18H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride has a molecular weight of 299.74 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride is sourced from PubChem (CID 171202599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).