(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride

C9H12Cl2FNO — CID 171219710

IUPAC(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO.ClH/c10-6-2-1-3-7(11)9(6)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1
InChIKeyUIDCMDNUOWFOOL-QRPNPIFTSA-N
MW240.10 g/mol
LogP2.28
Rot. Bonds3

About (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride

(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 171219710) has the molecular formula C9H12Cl2FNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID171219710
Molecular FormulaC9H12Cl2FNO
Molecular Weight240.10 g/mol
Exact Mass239.03
IUPAC Name(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO.ClH/c10-6-2-1-3-7(11)9(6)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1
InChIKeyUIDCMDNUOWFOOL-QRPNPIFTSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171200181
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CID 171200162
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(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
2-amino-1-(2-chloro-6-fluorophenyl)butane-1,4-diol
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(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
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(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
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(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
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(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
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CID 171219703

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride (CID 171219710) is (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1c(F)cccc1Cl.
What is the InChIKey of (3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is UIDCMDNUOWFOOL-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11ClFNO.ClH/c10-6-2-1-3-7(11)9(6)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-chloro-6-fluorophenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 240.10 g/mol, XLogP of 2.28, 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-chloro-6-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171219710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).