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

C12H14F3NOS — CID 60722498

IUPACN-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cccs1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)8-4-1-2-5-9(8)16-11(17)10-6-3-7-18-10/h3,6-9H,1-2,4-5H2,(H,16,17)
InChIKeyIYFASMUGRDHQDV-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.60
Rot. Bonds2

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

N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 60722498) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID60722498
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cccs1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)8-4-1-2-5-9(8)16-11(17)10-6-3-7-18-10/h3,6-9H,1-2,4-5H2,(H,16,17)
InChIKeyIYFASMUGRDHQDV-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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Related Compounds

N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
CID 2381843
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103874213
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide
CID 124572800
4-(cyclopropanecarbonylamino)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534252
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (CID 60722498) is N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1cccs1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is IYFASMUGRDHQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)8-4-1-2-5-9(8)16-11(17)10-6-3-7-18-10/h3,6-9H,1-2,4-5H2,(H,16,17).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 60722498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).