N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide

C12H18F3NO — CID 94606396

IUPACN-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCC1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)9-5-2-6-10(7-9)16-11(17)8-3-1-4-8/h8-10H,1-7H2,(H,16,17)/t9-,10-/m0/s1
InChIKeyUVLSNPJVFANLDG-UWVGGRQHSA-N
MW249.28 g/mol
LogP3.02
Rot. Bonds2

About N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide

N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide (PubChem CID 94606396) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
PubChem CID94606396
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCC1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)9-5-2-6-10(7-9)16-11(17)8-3-1-4-8/h8-10H,1-7H2,(H,16,17)/t9-,10-/m0/s1
InChIKeyUVLSNPJVFANLDG-UWVGGRQHSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
CID 4189567
N-Cyclohexyl-2-propylvaleramide
CID 3032176
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146
N-[4-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40138363
N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 42936327
N-[4-(trifluoromethyl)cyclohexyl]cyclopentanecarboxamide
CID 45868402
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97328146
N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide
CID 121021875
2-cyclopropyl-N-(4,4-difluorocyclohexyl)acetamide
CID 121021888

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide (CID 94606396) is N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide is O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCC1.
What is the InChIKey of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide?
The InChIKey is UVLSNPJVFANLDG-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18F3NO/c13-12(14,15)9-5-2-6-10(7-9)16-11(17)8-3-1-4-8/h8-10H,1-7H2,(H,16,17)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide?
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide has a molecular weight of 249.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide is sourced from PubChem (CID 94606396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).