3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride

C8H10ClF2NO — CID 171238999

IUPAC3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)C(F)F
InChIInChI=1S/C8H9F2NO.ClH/c9-8(10)7(11)5-2-1-3-6(12)4-5;/h1-4,7-8,12H,11H2;1H/t7-;/m1./s1
InChIKeyOQBKIABPLONLRF-OGFXRTJISA-N
MW209.62 g/mol
LogP2.08
Rot. Bonds2

About 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride

3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride (PubChem CID 171238999) has the molecular formula C8H10ClF2NO and a molecular weight of 209.62 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
PubChem CID171238999
Molecular FormulaC8H10ClF2NO
Molecular Weight209.62 g/mol
Exact Mass209.04
IUPAC Name3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)C(F)F
InChIInChI=1S/C8H9F2NO.ClH/c9-8(10)7(11)5-2-1-3-6(12)4-5;/h1-4,7-8,12H,11H2;1H/t7-;/m1./s1
InChIKeyOQBKIABPLONLRF-OGFXRTJISA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.62
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
CID 130642566
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride (CID 171238999) is 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride is Cl.N[C@H](c1cccc(O)c1)C(F)F.
What is the InChIKey of 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride?
The InChIKey is OQBKIABPLONLRF-OGFXRTJISA-N. The full InChI is InChI=1S/C8H9F2NO.ClH/c9-8(10)7(11)5-2-1-3-6(12)4-5;/h1-4,7-8,12H,11H2;1H/t7-;/m1./s1.
What are the key properties of 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride?
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride has a molecular weight of 209.62 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride is sourced from PubChem (CID 171238999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).