1-(2-chloroanilino)-3-fluoropropan-2-ol

C9H11ClFNO — CID 130859302

IUPAC1-(2-chloroanilino)-3-fluoropropan-2-ol
SMILESOC(CF)CNc1ccccc1Cl
InChIInChI=1S/C9H11ClFNO/c10-8-3-1-2-4-9(8)12-6-7(13)5-11/h1-4,7,12-13H,5-6H2
InChIKeyISFYDRSUIHSJQW-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.08
Rot. Bonds4

About 1-(2-chloroanilino)-3-fluoropropan-2-ol

1-(2-chloroanilino)-3-fluoropropan-2-ol (PubChem CID 130859302) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(2-chloroanilino)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(2-chloroanilino)-3-fluoropropan-2-ol
PubChem CID130859302
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(2-chloroanilino)-3-fluoropropan-2-ol
SMILESOC(CF)CNc1ccccc1Cl
InChIInChI=1S/C9H11ClFNO/c10-8-3-1-2-4-9(8)12-6-7(13)5-11/h1-4,7,12-13H,5-6H2
InChIKeyISFYDRSUIHSJQW-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
[3-(2-chloroanilino)-2-hydroxypropyl]-[(2-chlorophenyl)methyl]-dimethylazanium
CID 3064860
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
2-amino-3-(2-chloroanilino)propan-1-ol
CID 67271786
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
2-chloro-N-(2-ethylbutyl)aniline
CID 29278221
2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60898565
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
4-[3-(2-chloroanilino)-2-hydroxypropoxy]benzonitrile
CID 60720665
(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol
CID 69147350
3-(2-chloroanilino)-2-methylpropanethioamide
CID 82081467
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-3-fluoropropan-2-ol?
The IUPAC name of 1-(2-chloroanilino)-3-fluoropropan-2-ol (CID 130859302) is 1-(2-chloroanilino)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(2-chloroanilino)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(2-chloroanilino)-3-fluoropropan-2-ol is OC(CF)CNc1ccccc1Cl.
What is the InChIKey of 1-(2-chloroanilino)-3-fluoropropan-2-ol?
The InChIKey is ISFYDRSUIHSJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-8-3-1-2-4-9(8)12-6-7(13)5-11/h1-4,7,12-13H,5-6H2.
What are the key properties of 1-(2-chloroanilino)-3-fluoropropan-2-ol?
1-(2-chloroanilino)-3-fluoropropan-2-ol has a molecular weight of 203.64 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-3-fluoropropan-2-ol is sourced from PubChem (CID 130859302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).