4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride

C9H10ClF4NO — CID 171198755

IUPAC4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(O)c(F)c1
InChIInChI=1S/C9H9F4NO.ClH/c10-6-3-5(1-2-8(6)15)7(14)4-9(11,12)13;/h1-3,7,15H,4,14H2;1H/t7-;/m1./s1
InChIKeyVAURUHXKDFSEMZ-OGFXRTJISA-N
MW259.63 g/mol
LogP2.91
Rot. Bonds2

About 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride

4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride (PubChem CID 171198755) has the molecular formula C9H10ClF4NO and a molecular weight of 259.63 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
PubChem CID171198755
Molecular FormulaC9H10ClF4NO
Molecular Weight259.63 g/mol
Exact Mass259.04
IUPAC Name4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(O)c(F)c1
InChIInChI=1S/C9H9F4NO.ClH/c10-6-3-5(1-2-8(6)15)7(14)4-9(11,12)13;/h1-3,7,15H,4,14H2;1H/t7-;/m1./s1
InChIKeyVAURUHXKDFSEMZ-OGFXRTJISA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.63
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
CID 131499575
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-fluorophenol;hydrochloride
CID 171198768
2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
CID 3047826
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine
CID 103846559

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride (CID 171198755) is 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride?
The InChIKey is VAURUHXKDFSEMZ-OGFXRTJISA-N. The full InChI is InChI=1S/C9H9F4NO.ClH/c10-6-3-5(1-2-8(6)15)7(14)4-9(11,12)13;/h1-3,7,15H,4,14H2;1H/t7-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride?
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride has a molecular weight of 259.63 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 171198755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).