(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride

C9H12ClF2NO — CID 171223730

IUPAC(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1cccc(F)c1F
InChIInChI=1S/C9H11F2NO.ClH/c10-7-3-1-2-6(9(7)11)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1
InChIKeySYOKOJCJPMSSBT-QRPNPIFTSA-N
MW223.65 g/mol
LogP1.77
Rot. Bonds3

About (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride

(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride (PubChem CID 171223730) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
PubChem CID171223730
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1cccc(F)c1F
InChIInChI=1S/C9H11F2NO.ClH/c10-7-3-1-2-6(9(7)11)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1
InChIKeySYOKOJCJPMSSBT-QRPNPIFTSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
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CID 130740137
2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
CID 114059481
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
CID 84788312
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CID 170874374
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CID 126963755
2-[(1S)-1,3-diaminopropyl]-6-fluorophenol;hydrochloride
CID 171218427

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride (CID 171223730) is (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1cccc(F)c1F.
What is the InChIKey of (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is SYOKOJCJPMSSBT-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c10-7-3-1-2-6(9(7)11)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 1.77, 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-(2,3-difluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171223730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).