(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride

C9H10ClF4N — CID 171247770

IUPAC(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
SMILESCc1cc([C@H](N)C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C9H9F4N.ClH/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m0./s1
InChIKeySREPGSOORGFJRO-QRPNPIFTSA-N
MW243.63 g/mol
LogP3.12
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride

(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride (PubChem CID 171247770) has the molecular formula C9H10ClF4N and a molecular weight of 243.63 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
PubChem CID171247770
Molecular FormulaC9H10ClF4N
Molecular Weight243.63 g/mol
Exact Mass243.04
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
SMILESCc1cc([C@H](N)C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C9H9F4N.ClH/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m0./s1
InChIKeySREPGSOORGFJRO-QRPNPIFTSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.63
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
ethyl (3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-methylphenyl)propanoate;hydrochloride
CID 171247769
4-[(1R)-1-bromo-2,2,2-trifluoroethyl]-1-fluoro-2-methylbenzene
CID 124512118
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
CID 56971873
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-methylphenol
CID 66510873
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
ethyl (3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-methylphenyl)propanoate
CID 171247768
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride (CID 171247770) is (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride is Cc1cc([C@H](N)C(F)(F)F)ccc1F.Cl.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
The InChIKey is SREPGSOORGFJRO-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H9F4N.ClH/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride has a molecular weight of 243.63 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171247770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).