(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol

C9H11ClFNO — CID 39240659

IUPAC(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
SMILESC[C@H](O)CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-6(13)5-12-7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3/t6-/m0/s1
InChIKeyFLSMGNNBSMTWHE-LURJTMIESA-N
MW203.64 g/mol
LogP2.27
Rot. Bonds3

About (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol

(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol (PubChem CID 39240659) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
PubChem CID39240659
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
SMILESC[C@H](O)CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-6(13)5-12-7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3/t6-/m0/s1
InChIKeyFLSMGNNBSMTWHE-LURJTMIESA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551
3-(3-chloro-4-fluoroanilino)-2-methylpropanethioamide
CID 82086359
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
CID 83108692
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809625
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
4-[2-(3-chloro-4-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 83108931
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
2-[(3-chloro-4-fluoroanilino)methyl]-2-methylpropane-1,3-diol
CID 83108081
1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol?
The IUPAC name of (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol (CID 39240659) is (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol?
The canonical SMILES for (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol is C[C@H](O)CNc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol?
The InChIKey is FLSMGNNBSMTWHE-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6(13)5-12-7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol?
(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol has a molecular weight of 203.64 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol is sourced from PubChem (CID 39240659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).