(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride

C9H11BrClF2NO — CID 171246158

IUPAC(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)cc1)C(F)(F)CO
InChIInChI=1S/C9H10BrF2NO.ClH/c10-7-3-1-6(2-4-7)8(13)9(11,12)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m0./s1
InChIKeyVGVVVCKFUFEZDX-QRPNPIFTSA-N
MW302.55 g/mol
LogP2.50
Rot. Bonds3

About (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride

(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171246158) has the molecular formula C9H11BrClF2NO and a molecular weight of 302.55 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171246158
Molecular FormulaC9H11BrClF2NO
Molecular Weight302.55 g/mol
Exact Mass300.97
IUPAC Name(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)cc1)C(F)(F)CO
InChIInChI=1S/C9H10BrF2NO.ClH/c10-7-3-1-6(2-4-7)8(13)9(11,12)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m0./s1
InChIKeyVGVVVCKFUFEZDX-QRPNPIFTSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171238859
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171238873
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240971
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171239039
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246509
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromophenol
CID 131525992

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171246158) is (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@@H](c1ccc(Br)cc1)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is VGVVVCKFUFEZDX-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H10BrF2NO.ClH/c10-7-3-1-6(2-4-7)8(13)9(11,12)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 302.55 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171246158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).