2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide

C8H7Cl2F2NO2S — CID 103769641

IUPAC2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2F2NO2S/c9-5-1-3(6(10)16-5)8(15)13-2-4(14)7(11)12/h1,4,7,14H,2H2,(H,13,15)
InChIKeyCVFUUFNNYVZYEL-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.41
Rot. Bonds4

About 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide

2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 103769641) has the molecular formula C8H7Cl2F2NO2S and a molecular weight of 290.12 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
PubChem CID103769641
Molecular FormulaC8H7Cl2F2NO2S
Molecular Weight290.12 g/mol
Exact Mass288.95
IUPAC Name2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2F2NO2S/c9-5-1-3(6(10)16-5)8(15)13-2-4(14)7(11)12/h1,4,7,14H,2H2,(H,13,15)
InChIKeyCVFUUFNNYVZYEL-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-Dichlorothiophen-3-yl)formamido]-2,2-difluoropropanoic acid
CID 154577507
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103723071
N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103723116
5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103726423
N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103769624
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857559
2,5-dichloro-N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide
CID 104857095
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
CID 104954947
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107963451
2-[(2,5-Dichlorothiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113229169
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 120410010
2-[(2,5-Dichlorothiophene-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 121642637

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide (CID 103769641) is 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide is O=C(NCC(O)C(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is CVFUUFNNYVZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO2S/c9-5-1-3(6(10)16-5)8(15)13-2-4(14)7(11)12/h1,4,7,14H,2H2,(H,13,15).
What are the key properties of 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 290.12 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 103769641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).