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

C12H14F3NOS — CID 42941509

IUPACN-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccsc1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-3-1-2-4-10(9)16-11(17)8-5-6-18-7-8/h5-7,9-10H,1-4H2,(H,16,17)
InChIKeyFMLKTYHACGRTPA-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.60
Rot. Bonds2

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

N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide (PubChem CID 42941509) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
PubChem CID42941509
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccsc1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-3-1-2-4-10(9)16-11(17)8-5-6-18-7-8/h5-7,9-10H,1-4H2,(H,16,17)
InChIKeyFMLKTYHACGRTPA-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide (CID 42941509) is N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1ccsc1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
The InChIKey is FMLKTYHACGRTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)9-3-1-2-4-10(9)16-11(17)8-5-6-18-7-8/h5-7,9-10H,1-4H2,(H,16,17).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide is sourced from PubChem (CID 42941509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).