2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride

C9H8Cl2F5NO — CID 171312352

IUPAC2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@H](c1cccc(Cl)c1O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7ClF5NO.ClH/c10-5-3-1-2-4(6(5)17)7(16)8(11,12)9(13,14)15;/h1-3,7,17H,16H2;1H/t7-;/m1./s1
InChIKeyBTKBVVURWDILBV-OGFXRTJISA-N
MW312.07 g/mol
LogP3.66
Rot. Bonds2

About 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride

2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride (PubChem CID 171312352) has the molecular formula C9H8Cl2F5NO and a molecular weight of 312.07 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride
PubChem CID171312352
Molecular FormulaC9H8Cl2F5NO
Molecular Weight312.07 g/mol
Exact Mass310.99
IUPAC Name2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@H](c1cccc(Cl)c1O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7ClF5NO.ClH/c10-5-3-1-2-4(6(5)17)7(16)8(11,12)9(13,14)15;/h1-3,7,17H,16H2;1H/t7-;/m1./s1
InChIKeyBTKBVVURWDILBV-OGFXRTJISA-N
XLogP3.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,3-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311628
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride
CID 171241275
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-bromophenol;hydrochloride
CID 171311559
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-bromophenol
CID 171311558
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol
CID 131473410
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311801
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-6-chlorophenol
CID 171204748
methyl (3S)-3-amino-3-(3-chloro-2-hydroxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247986
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171311703
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
CID 171312531
(1S)-1-(2-chloro-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311611

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride (CID 171312352) is 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride is Cl.N[C@H](c1cccc(Cl)c1O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride?
The InChIKey is BTKBVVURWDILBV-OGFXRTJISA-N. The full InChI is InChI=1S/C9H7ClF5NO.ClH/c10-5-3-1-2-4(6(5)17)7(16)8(11,12)9(13,14)15;/h1-3,7,17H,16H2;1H/t7-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride?
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride has a molecular weight of 312.07 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride is sourced from PubChem (CID 171312352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).