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

C9H11ClFNO — CID 141225780

IUPAC(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
SMILESO[C@@H](CCl)CNc1ccc(F)cc1
InChIInChI=1S/C9H11ClFNO/c10-5-9(13)6-12-8-3-1-7(11)2-4-8/h1-4,9,12-13H,5-6H2/t9-/m0/s1
InChIKeyVIDZGHHBTIZKOH-VIFPVBQESA-N
MW203.64 g/mol
LogP1.84
Rot. Bonds4

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

(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol (PubChem CID 141225780) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
PubChem CID141225780
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
SMILESO[C@@H](CCl)CNc1ccc(F)cc1
InChIInChI=1S/C9H11ClFNO/c10-5-9(13)6-12-8-3-1-7(11)2-4-8/h1-4,9,12-13H,5-6H2/t9-/m0/s1
InChIKeyVIDZGHHBTIZKOH-VIFPVBQESA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
1-anilino-3-chloropropan-2-ol
CID 3640254
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
CID 168639837
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
CID 168640962
1-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]propane-1,2,3-triol
CID 168637818
5-[(3-chloro-2-hydroxypropyl)amino]-2-fluorobenzoic acid
CID 168636677
1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol
CID 168638340

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol (CID 141225780) is (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol is O[C@@H](CCl)CNc1ccc(F)cc1.
What is the InChIKey of (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol?
The InChIKey is VIDZGHHBTIZKOH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-5-9(13)6-12-8-3-1-7(11)2-4-8/h1-4,9,12-13H,5-6H2/t9-/m0/s1.
What are the key properties of (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol?
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol has a molecular weight of 203.64 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol is sourced from PubChem (CID 141225780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).