(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

C10H12ClF4N — CID 171227313

IUPAC(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1c(F)cccc1C(F)(F)F.Cl
InChIInChI=1S/C10H11F4N.ClH/c1-2-8(15)9-6(10(12,13)14)4-3-5-7(9)11;/h3-5,8H,2,15H2,1H3;1H/t8-;/m0./s1
InChIKeyCBACTTGJYLYWGI-QRPNPIFTSA-N
MW257.66 g/mol
LogP3.68
Rot. Bonds2

About (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 171227313) has the molecular formula C10H12ClF4N and a molecular weight of 257.66 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
PubChem CID171227313
Molecular FormulaC10H12ClF4N
Molecular Weight257.66 g/mol
Exact Mass257.06
IUPAC Name(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1c(F)cccc1C(F)(F)F.Cl
InChIInChI=1S/C10H11F4N.ClH/c1-2-8(15)9-6(10(12,13)14)4-3-5-7(9)11;/h3-5,8H,2,15H2,1H3;1H/t8-;/m0./s1
InChIKeyCBACTTGJYLYWGI-QRPNPIFTSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171227307
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171227351
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171227323
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171227347
(1S)-4,4,4-trifluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]butan-1-amine
CID 171227329
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propanenitrile
CID 131439359
(1R)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242250
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227345
2-[(1S)-1-aminopropyl]-6-fluoro-3-(trifluoromethyl)phenol
CID 131292479
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (CID 171227313) is (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is CC[C@H](N)c1c(F)cccc1C(F)(F)F.Cl.
What is the InChIKey of (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is CBACTTGJYLYWGI-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H11F4N.ClH/c1-2-8(15)9-6(10(12,13)14)4-3-5-7(9)11;/h3-5,8H,2,15H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 257.66 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171227313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).