N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide

C8H12F3NO — CID 62728778

IUPACN-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(6-3-4-6)12(2)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyBSUIPBUAVMPEKE-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.81
Rot. Bonds2

About N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide

N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62728778) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID62728778
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(6-3-4-6)12(2)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyBSUIPBUAVMPEKE-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-2,2,2-trifluoro-N-methylacetamide
CID 17920732
N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 59598870
2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide
CID 62728772
N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide
CID 62733552
2,2,2-trifluoro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 63374554
N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 88872622
N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 89301617
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 89877160
N-[(2S)-2-methylbutyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 89877198
N-(4,4-difluoro-5-methylhexyl)-N-propan-2-ylacetamide
CID 89929505
2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide
CID 103515114
N-(1-cyclopropylethyl)-2,2-difluoroacetamide
CID 103603517

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide (CID 62728778) is N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide is CC(C1CC1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is BSUIPBUAVMPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(6-3-4-6)12(2)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide?
N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 195.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62728778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).