2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile

C14H10F3NO — CID 23074381

IUPAC2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)cc1CC#N
InChIInChI=1S/C14H10F3NO/c1-9-11(6-7-18)8-13(19-9)10-2-4-12(5-3-10)14(15,16)17/h2-5,8H,6H2,1H3
InChIKeyYAXLDCOSRFDUAA-UHFFFAOYSA-N
MW265.23 g/mol
LogP4.34
Rot. Bonds2

About 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile

2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile (PubChem CID 23074381) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
PubChem CID23074381
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)cc1CC#N
InChIInChI=1S/C14H10F3NO/c1-9-11(6-7-18)8-13(19-9)10-2-4-12(5-3-10)14(15,16)17/h2-5,8H,6H2,1H3
InChIKeyYAXLDCOSRFDUAA-UHFFFAOYSA-N
XLogP4.34
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile?
The IUPAC name of 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile (CID 23074381) is 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile?
The canonical SMILES for 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile is Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CC#N.
What is the InChIKey of 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile?
The InChIKey is YAXLDCOSRFDUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-9-11(6-7-18)8-13(19-9)10-2-4-12(5-3-10)14(15,16)17/h2-5,8H,6H2,1H3.
What are the key properties of 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile?
2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile has a molecular weight of 265.23 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile is sourced from PubChem (CID 23074381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).