(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride

C10H12ClF4NO2 — CID 171250247

IUPAC(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1ccccc1OC(F)F)C(F)(F)CO
InChIInChI=1S/C10H11F4NO2.ClH/c11-9(12)17-7-4-2-1-3-6(7)8(15)10(13,14)5-16;/h1-4,8-9,16H,5,15H2;1H/t8-;/m0./s1
InChIKeyCAQSGOYBHZORKR-QRPNPIFTSA-N
MW289.66 g/mol
LogP2.34
Rot. Bonds5

About (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride

(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171250247) has the molecular formula C10H12ClF4NO2 and a molecular weight of 289.66 g/mol. Its IUPAC name is (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171250247
Molecular FormulaC10H12ClF4NO2
Molecular Weight289.66 g/mol
Exact Mass289.05
IUPAC Name(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1ccccc1OC(F)F)C(F)(F)CO
InChIInChI=1S/C10H11F4NO2.ClH/c11-9(12)17-7-4-2-1-3-6(7)8(15)10(13,14)5-16;/h1-4,8-9,16H,5,15H2;1H/t8-;/m0./s1
InChIKeyCAQSGOYBHZORKR-QRPNPIFTSA-N
XLogP2.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171243512
(3R)-3-amino-2,2-difluoro-3-(2-methoxyphenyl)propan-1-ol
CID 171239731
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171250237
(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247121
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311871
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
CID 171248235
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
CID 171243718
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
methyl (3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropanoate
CID 171243498
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride (CID 171250247) is (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@@H](c1ccccc1OC(F)F)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is CAQSGOYBHZORKR-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H11F4NO2.ClH/c11-9(12)17-7-4-2-1-3-6(7)8(15)10(13,14)5-16;/h1-4,8-9,16H,5,15H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 289.66 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171250247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).