2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide

C12H12Cl2F3NOS — CID 86916755

IUPAC2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12Cl2F3NOS/c13-9-5-8(10(14)20-9)11(19)18-7-3-1-2-6(4-7)12(15,16)17/h5-7H,1-4H2,(H,18,19)
InChIKeyZGROTFCZSSDWKW-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.91
Rot. Bonds2

About 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide

2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide (PubChem CID 86916755) has the molecular formula C12H12Cl2F3NOS and a molecular weight of 346.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
PubChem CID86916755
Molecular FormulaC12H12Cl2F3NOS
Molecular Weight346.20 g/mol
Exact Mass345.00
IUPAC Name2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12Cl2F3NOS/c13-9-5-8(10(14)20-9)11(19)18-7-3-1-2-6(4-7)12(15,16)17/h5-7H,1-4H2,(H,18,19)
InChIKeyZGROTFCZSSDWKW-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 40138365
N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 42942809
N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 25536138
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 25536143
N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 25536148
N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 25536150
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 40144325
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 40144326
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 40144327
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 40144328
N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 42941509
5-iodo-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 78950137

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide (CID 86916755) is 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
The InChIKey is ZGROTFCZSSDWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F3NOS/c13-9-5-8(10(14)20-9)11(19)18-7-3-1-2-6(4-7)12(15,16)17/h5-7H,1-4H2,(H,18,19).
What are the key properties of 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide has a molecular weight of 346.20 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide is sourced from PubChem (CID 86916755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).