N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

C10H14F3NO — CID 135392159

IUPACN-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)N(C)CC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C10H14F3NO/c1-7(15)14(2)6-8-3-9(4-8,5-8)10(11,12)13/h3-6H2,1-2H3
InChIKeyZBVPFCYUWDYTFR-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.20
Rot. Bonds2

About N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (PubChem CID 135392159) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
PubChem CID135392159
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)N(C)CC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C10H14F3NO/c1-7(15)14(2)6-8-3-9(4-8,5-8)10(11,12)13/h3-6H2,1-2H3
InChIKeyZBVPFCYUWDYTFR-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (CID 135392159) is N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is CC(=O)N(C)CC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The InChIKey is ZBVPFCYUWDYTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(15)14(2)6-8-3-9(4-8,5-8)10(11,12)13/h3-6H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide has a molecular weight of 221.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is sourced from PubChem (CID 135392159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).