1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol

C11H14ClF2NO2 — CID 168640847

IUPAC1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol
SMILESCCOc1c(F)cc(NCC(O)CCl)cc1F
InChIInChI=1S/C11H14ClF2NO2/c1-2-17-11-9(13)3-7(4-10(11)14)15-6-8(16)5-12/h3-4,8,15-16H,2,5-6H2,1H3
InChIKeyABPUAJFKANJABT-UHFFFAOYSA-N
MW265.69 g/mol
LogP2.38
Rot. Bonds6

About 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol

1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol (PubChem CID 168640847) has the molecular formula C11H14ClF2NO2 and a molecular weight of 265.69 g/mol. Its IUPAC name is 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol
PubChem CID168640847
Molecular FormulaC11H14ClF2NO2
Molecular Weight265.69 g/mol
Exact Mass265.07
IUPAC Name1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol
SMILESCCOc1c(F)cc(NCC(O)CCl)cc1F
InChIInChI=1S/C11H14ClF2NO2/c1-2-17-11-9(13)3-7(4-10(11)14)15-6-8(16)5-12/h3-4,8,15-16H,2,5-6H2,1H3
InChIKeyABPUAJFKANJABT-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[4-(cyclobutylmethoxy)-3,5-difluoroanilino]propan-2-ol
CID 168637854
1-(3-bromo-5-chloro-4-ethoxyanilino)-3-chloropropan-2-ol
CID 168636791
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
CID 168637483
1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
3-[4-(cyclobutylmethoxy)-3,5-difluoroanilino]propane-1,2-diol
CID 168597020
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
(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
1-[3-bromo-5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]anilino]-3-chloropropan-2-ol
CID 168640562
6-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-2,3-dihydroisoindol-1-one
CID 168640025

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol (CID 168640847) is 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol is CCOc1c(F)cc(NCC(O)CCl)cc1F.
What is the InChIKey of 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol?
The InChIKey is ABPUAJFKANJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO2/c1-2-17-11-9(13)3-7(4-10(11)14)15-6-8(16)5-12/h3-4,8,15-16H,2,5-6H2,1H3.
What are the key properties of 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol?
1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol has a molecular weight of 265.69 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol is sourced from PubChem (CID 168640847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).