(2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine

C14H12F3NO — CID 177207256

IUPAC(2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine
SMILESC=C(F)/C=C1/Cc2cc(OC(F)F)ccc2/C1=N\C
InChIInChI=1S/C14H12F3NO/c1-8(15)5-10-6-9-7-11(19-14(16)17)3-4-12(9)13(10)18-2/h3-5,7,14H,1,6H2,2H3/b10-5-,18-13-
InChIKeyRDRWHFSFLWKGJJ-FWSJCCAESA-N
MW267.25 g/mol
LogP3.67
Rot. Bonds3

About (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine

(2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine (PubChem CID 177207256) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine.

Molecular Properties

Compound Name(2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine
PubChem CID177207256
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name(2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine
SMILESC=C(F)/C=C1/Cc2cc(OC(F)F)ccc2/C1=N\C
InChIInChI=1S/C14H12F3NO/c1-8(15)5-10-6-9-7-11(19-14(16)17)3-4-12(9)13(10)18-2/h3-5,7,14H,1,6H2,2H3/b10-5-,18-13-
InChIKeyRDRWHFSFLWKGJJ-FWSJCCAESA-N
XLogP3.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine?
The IUPAC name of (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine (CID 177207256) is (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine.
What is the SMILES notation for (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine?
The canonical SMILES for (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine is C=C(F)/C=C1/Cc2cc(OC(F)F)ccc2/C1=N\C.
What is the InChIKey of (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine?
The InChIKey is RDRWHFSFLWKGJJ-FWSJCCAESA-N. The full InChI is InChI=1S/C14H12F3NO/c1-8(15)5-10-6-9-7-11(19-14(16)17)3-4-12(9)13(10)18-2/h3-5,7,14H,1,6H2,2H3/b10-5-,18-13-.
What are the key properties of (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine?
(2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine has a molecular weight of 267.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine is sourced from PubChem (CID 177207256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).