N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C16H23F6NO — CID 71672505

IUPACN,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H23F6NO/c17-15(18,19)13(16(20,21)22)14(24)23(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeySISNTGOGDYUEBD-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.22
Rot. Bonds3

About N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 71672505) has the molecular formula C16H23F6NO and a molecular weight of 359.35 g/mol. Its IUPAC name is N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID71672505
Molecular FormulaC16H23F6NO
Molecular Weight359.35 g/mol
Exact Mass359.17
IUPAC NameN,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H23F6NO/c17-15(18,19)13(16(20,21)22)14(24)23(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeySISNTGOGDYUEBD-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 103310161
N,N-dicyclohexyl-2-(methylamino)propanamide
CID 62639646
(2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide
CID 91261250
CID 87476940
CID 87476940
N-cyclohexyl-2,2,2-trifluoro-N-hydroxyacetamide
CID 10262560
(2S)-2-amino-N,N-dicyclohexylpentanamide
CID 107568011
N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113
(2R,3R,4R,5R)-N,N-dicyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
CID 98565543
3-[cycloheptyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069162

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 71672505) is N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(C(C(F)(F)F)C(F)(F)F)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is SISNTGOGDYUEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F6NO/c17-15(18,19)13(16(20,21)22)14(24)23(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2.
What are the key properties of N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 359.35 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).