1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H15ClFNO2S — CID 60910138

IUPAC1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1cc(Cl)ccc1F)COCc1cccs1
InChIInChI=1S/C14H15ClFNO2S/c15-10-3-4-13(16)14(6-10)17-7-11(18)8-19-9-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2
InChIKeyLGPCPFUSABLRJF-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.53
Rot. Bonds7

About 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 60910138) has the molecular formula C14H15ClFNO2S and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID60910138
Molecular FormulaC14H15ClFNO2S
Molecular Weight315.80 g/mol
Exact Mass315.05
IUPAC Name1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1cc(Cl)ccc1F)COCc1cccs1
InChIInChI=1S/C14H15ClFNO2S/c15-10-3-4-13(16)14(6-10)17-7-11(18)8-19-9-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2
InChIKeyLGPCPFUSABLRJF-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79769188
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787
1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60899650
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60908651
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-(4-bromo-3-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 82860841

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 60910138) is 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNc1cc(Cl)ccc1F)COCc1cccs1.
What is the InChIKey of 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is LGPCPFUSABLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2S/c15-10-3-4-13(16)14(6-10)17-7-11(18)8-19-9-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2.
What are the key properties of 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 315.80 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60910138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).