2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile

C14H11F2NOS — CID 146422800

IUPAC2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile
SMILESCOCc1cc(-c2ccc(CC#N)c(F)c2F)cs1
InChIInChI=1S/C14H11F2NOS/c1-18-7-11-6-10(8-19-11)12-3-2-9(4-5-17)13(15)14(12)16/h2-3,6,8H,4,7H2,1H3
InChIKeyMEIARNCYMWLBHW-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.91
Rot. Bonds4

About 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile

2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile (PubChem CID 146422800) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile
PubChem CID146422800
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile
SMILESCOCc1cc(-c2ccc(CC#N)c(F)c2F)cs1
InChIInChI=1S/C14H11F2NOS/c1-18-7-11-6-10(8-19-11)12-3-2-9(4-5-17)13(15)14(12)16/h2-3,6,8H,4,7H2,1H3
InChIKeyMEIARNCYMWLBHW-UHFFFAOYSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane
CID 10539961
2-(2,4-Difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane
CID 10850870
4-[3-(Hydroxymethyl)thiophen-2-yl]benzonitrile
CID 56600431
5-(Methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene
CID 2781496
2-[Difluoro(thiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]oxirane
CID 10567683
3-[2-[(4-Fluorophenyl)methoxy]ethyl]thiophene
CID 14611973
2-(2-Fluorobenzyl)-3-thiophenecarboxaldehyde dimethylacetal
CID 15728745
2-[2-[(4-Fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
2-(4-Fluorophenylmethoxymethyl)thiophene
CID 19963315
3-Phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene
CID 58863072
2-(Methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene
CID 59434164
2-[(4-Fluorophenyl)-methoxymethyl]thiophene
CID 70342470

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile?
The IUPAC name of 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile (CID 146422800) is 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile is COCc1cc(-c2ccc(CC#N)c(F)c2F)cs1.
What is the InChIKey of 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile?
The InChIKey is MEIARNCYMWLBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-18-7-11-6-10(8-19-11)12-3-2-9(4-5-17)13(15)14(12)16/h2-3,6,8H,4,7H2,1H3.
What are the key properties of 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile?
2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile has a molecular weight of 279.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]acetonitrile is sourced from PubChem (CID 146422800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).