4-[(1R)-1-amino-2,2-difluoroethyl]phenol

C8H9F2NO — CID 130707257

IUPAC4-[(1R)-1-amino-2,2-difluoroethyl]phenol
SMILESN[C@H](c1ccc(O)cc1)C(F)F
InChIInChI=1S/C8H9F2NO/c9-8(10)7(11)5-1-3-6(12)4-2-5/h1-4,7-8,12H,11H2/t7-/m1/s1
InChIKeyIYOYFGLFLKRBRA-SSDOTTSWSA-N
MW173.16 g/mol
LogP1.66
Rot. Bonds2

About 4-[(1R)-1-amino-2,2-difluoroethyl]phenol

4-[(1R)-1-amino-2,2-difluoroethyl]phenol (PubChem CID 130707257) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2-difluoroethyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2-difluoroethyl]phenol
PubChem CID130707257
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name4-[(1R)-1-amino-2,2-difluoroethyl]phenol
SMILESN[C@H](c1ccc(O)cc1)C(F)F
InChIInChI=1S/C8H9F2NO/c9-8(10)7(11)5-1-3-6(12)4-2-5/h1-4,7-8,12H,11H2/t7-/m1/s1
InChIKeyIYOYFGLFLKRBRA-SSDOTTSWSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1,2-diaminopropyl)phenol
CID 24841393
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
CID 130642566
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
CID 151615052
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2-difluoroethyl]phenol?
The IUPAC name of 4-[(1R)-1-amino-2,2-difluoroethyl]phenol (CID 130707257) is 4-[(1R)-1-amino-2,2-difluoroethyl]phenol.
What is the SMILES notation for 4-[(1R)-1-amino-2,2-difluoroethyl]phenol?
The canonical SMILES for 4-[(1R)-1-amino-2,2-difluoroethyl]phenol is N[C@H](c1ccc(O)cc1)C(F)F.
What is the InChIKey of 4-[(1R)-1-amino-2,2-difluoroethyl]phenol?
The InChIKey is IYOYFGLFLKRBRA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-8(10)7(11)5-1-3-6(12)4-2-5/h1-4,7-8,12H,11H2/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2,2-difluoroethyl]phenol?
4-[(1R)-1-amino-2,2-difluoroethyl]phenol has a molecular weight of 173.16 g/mol, XLogP of 1.66, 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-2,2-difluoroethyl]phenol is sourced from PubChem (CID 130707257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).