N,N-dicyclohexyl-2,2,2-trifluoroacetamide

C14H22F3NO — CID 543477

IUPACN,N-dicyclohexyl-2,2,2-trifluoroacetamide
SMILESO=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H22F3NO/c15-14(16,17)13(19)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyUAPIMTBMORESAD-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.04
Rot. Bonds2

About N,N-dicyclohexyl-2,2,2-trifluoroacetamide

N,N-dicyclohexyl-2,2,2-trifluoroacetamide (PubChem CID 543477) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is N,N-dicyclohexyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2,2,2-trifluoroacetamide
PubChem CID543477
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN,N-dicyclohexyl-2,2,2-trifluoroacetamide
SMILESO=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H22F3NO/c15-14(16,17)13(19)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyUAPIMTBMORESAD-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2,2,2-trifluoroacetamide?
The IUPAC name of N,N-dicyclohexyl-2,2,2-trifluoroacetamide (CID 543477) is N,N-dicyclohexyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N,N-dicyclohexyl-2,2,2-trifluoroacetamide is O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N,N-dicyclohexyl-2,2,2-trifluoroacetamide?
The InChIKey is UAPIMTBMORESAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)13(19)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of N,N-dicyclohexyl-2,2,2-trifluoroacetamide?
N,N-dicyclohexyl-2,2,2-trifluoroacetamide has a molecular weight of 277.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 543477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).