2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol

C9H11ClFNO2 — CID 168640962

IUPAC2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
SMILESOc1cc(F)ccc1NCC(O)CCl
InChIInChI=1S/C9H11ClFNO2/c10-4-7(13)5-12-8-2-1-6(11)3-9(8)14/h1-3,7,12-14H,4-5H2
InChIKeyXEAOKCDGLGJBCL-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.54
Rot. Bonds4

About 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol

2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol (PubChem CID 168640962) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
PubChem CID168640962
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
SMILESOc1cc(F)ccc1NCC(O)CCl
InChIInChI=1S/C9H11ClFNO2/c10-4-7(13)5-12-8-2-1-6(11)3-9(8)14/h1-3,7,12-14H,4-5H2
InChIKeyXEAOKCDGLGJBCL-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-2-hydroxypropyl)amino]-3-fluorophenol
CID 168636307
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-chloro-3-(5-fluoro-2-pentan-3-yloxyanilino)propan-2-ol
CID 168638738
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
4-[(3-chloro-2-hydroxypropyl)amino]naphthalen-1-ol
CID 168636995
1-chloro-3-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 168636517
3-[(3-chloro-2-hydroxypropyl)amino]-6-fluoro-2-hydroxybenzoic acid
CID 168640204
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-(4-bromo-3-chloro-2-fluoroanilino)-3-chloropropan-2-ol
CID 168636288
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone
CID 168640641
1-chloro-3-(4,5-difluoro-2-nitroanilino)propan-2-ol
CID 168640845

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol?
The IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol (CID 168640962) is 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol.
What is the SMILES notation for 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol?
The canonical SMILES for 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol is Oc1cc(F)ccc1NCC(O)CCl.
What is the InChIKey of 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol?
The InChIKey is XEAOKCDGLGJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c10-4-7(13)5-12-8-2-1-6(11)3-9(8)14/h1-3,7,12-14H,4-5H2.
What are the key properties of 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol?
2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol has a molecular weight of 219.64 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol is sourced from PubChem (CID 168640962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).