4-(1-amino-2,2-difluoroethyl)-2-fluorophenol

C8H8F3NO — CID 130062652

IUPAC4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
SMILESNC(c1ccc(O)c(F)c1)C(F)F
InChIInChI=1S/C8H8F3NO/c9-5-3-4(1-2-6(5)13)7(12)8(10)11/h1-3,7-8,13H,12H2
InChIKeyRHAIWQUZBGCUFZ-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.80
Rot. Bonds2

About 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol

4-(1-amino-2,2-difluoroethyl)-2-fluorophenol (PubChem CID 130062652) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol.

Molecular Properties

Compound Name4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
PubChem CID130062652
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
SMILESNC(c1ccc(O)c(F)c1)C(F)F
InChIInChI=1S/C8H8F3NO/c9-5-3-4(1-2-6(5)13)7(12)8(10)11/h1-3,7-8,13H,12H2
InChIKeyRHAIWQUZBGCUFZ-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
CID 131499575
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol?
The IUPAC name of 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol (CID 130062652) is 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol.
What is the SMILES notation for 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol?
The canonical SMILES for 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol is NC(c1ccc(O)c(F)c1)C(F)F.
What is the InChIKey of 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol?
The InChIKey is RHAIWQUZBGCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-5-3-4(1-2-6(5)13)7(12)8(10)11/h1-3,7-8,13H,12H2.
What are the key properties of 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol?
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol has a molecular weight of 191.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2-difluoroethyl)-2-fluorophenol is sourced from PubChem (CID 130062652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).