(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride

C10H10ClF6NO — CID 171312558

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1cccc(F)c1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C10H9F6NO.ClH/c1-18-6-4-2-3-5(11)7(6)8(17)9(12,13)10(14,15)16;/h2-4,8H,17H2,1H3;1H/t8-;/m1./s1
InChIKeyJTGAHGDWTHTQMI-DDWIOCJRSA-N
MW309.64 g/mol
LogP3.45
Rot. Bonds3

About (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171312558) has the molecular formula C10H10ClF6NO and a molecular weight of 309.64 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171312558
Molecular FormulaC10H10ClF6NO
Molecular Weight309.64 g/mol
Exact Mass309.04
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1cccc(F)c1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C10H9F6NO.ClH/c1-18-6-4-2-3-5(11)7(6)8(17)9(12,13)10(14,15)16;/h2-4,8H,17H2,1H3;1H/t8-;/m1./s1
InChIKeyJTGAHGDWTHTQMI-DDWIOCJRSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.64
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(1R)-1-(2-bromo-6-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312299
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 171312588
2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 62867617
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 171312665
(1S)-1-(2,6-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311616

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride (CID 171312558) is (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride is COc1cccc(F)c1[C@@H](N)C(F)(F)C(F)(F)F.Cl.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is JTGAHGDWTHTQMI-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9F6NO.ClH/c1-18-6-4-2-3-5(11)7(6)8(17)9(12,13)10(14,15)16;/h2-4,8H,17H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 309.64 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).