2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide

C13H14F3NO3 — CID 118560462

IUPAC2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)C(OCC1CC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-4-2-1-3-9(10)11(12(17)18)19-7-8-5-6-8/h1-4,8,11H,5-7H2,(H2,17,18)
InChIKeyIXVLCDSIKYWCPM-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.54
Rot. Bonds6

About 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide

2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 118560462) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID118560462
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)C(OCC1CC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-4-2-1-3-9(10)11(12(17)18)19-7-8-5-6-8/h1-4,8,11H,5-7H2,(H2,17,18)
InChIKeyIXVLCDSIKYWCPM-UHFFFAOYSA-N
XLogP2.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 61001989
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
2-[4-[2-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524476
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetic acid
CID 60997656
methyl 2-amino-4-[2-(trifluoromethoxy)phenyl]hexanoate
CID 174512723
(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63894152
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide (CID 118560462) is 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide is NC(=O)C(OCC1CC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is IXVLCDSIKYWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)20-10-4-2-1-3-9(10)11(12(17)18)19-7-8-5-6-8/h1-4,8,11H,5-7H2,(H2,17,18).
What are the key properties of 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide?
2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 289.25 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 118560462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).