2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile

C14H15F3N2O2 — CID 167856876

IUPAC2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile
SMILESCOc1cccc(OC(F)(F)F)c1NCC1(CC#N)CC1
InChIInChI=1S/C14H15F3N2O2/c1-20-10-3-2-4-11(21-14(15,16)17)12(10)19-9-13(5-6-13)7-8-18/h2-4,19H,5-7,9H2,1H3
InChIKeyLPARKUNVCPSXET-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.70
Rot. Bonds6

About 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile

2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile (PubChem CID 167856876) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile
PubChem CID167856876
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile
SMILESCOc1cccc(OC(F)(F)F)c1NCC1(CC#N)CC1
InChIInChI=1S/C14H15F3N2O2/c1-20-10-3-2-4-11(21-14(15,16)17)12(10)19-9-13(5-6-13)7-8-18/h2-4,19H,5-7,9H2,1H3
InChIKeyLPARKUNVCPSXET-UHFFFAOYSA-N
XLogP3.70
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile (CID 167856876) is 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile is COc1cccc(OC(F)(F)F)c1NCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile?
The InChIKey is LPARKUNVCPSXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-20-10-3-2-4-11(21-14(15,16)17)12(10)19-9-13(5-6-13)7-8-18/h2-4,19H,5-7,9H2,1H3.
What are the key properties of 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile has a molecular weight of 300.28 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 167856876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).