4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile

C14H12FNOS — CID 107670432

IUPAC4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
SMILESCCc1ccc(COc2ccc(C#N)cc2F)s1
InChIInChI=1S/C14H12FNOS/c1-2-11-4-5-12(18-11)9-17-14-6-3-10(8-16)7-13(14)15/h3-7H,2,9H2,1H3
InChIKeyVXQOPJYACCUEPE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.90
Rot. Bonds4

About 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile

4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile (PubChem CID 107670432) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
PubChem CID107670432
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
SMILESCCc1ccc(COc2ccc(C#N)cc2F)s1
InChIInChI=1S/C14H12FNOS/c1-2-11-4-5-12(18-11)9-17-14-6-3-10(8-16)7-13(14)15/h3-7H,2,9H2,1H3
InChIKeyVXQOPJYACCUEPE-UHFFFAOYSA-N
XLogP3.90
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile
CID 107668134
4-[[3-tert-butyl-5-[(4-cyano-2-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 156508177
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
CID 103792189
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
3-fluoro-4-nonoxybenzonitrile
CID 107670423
3-fluoro-4-(2-methylbutoxy)benzonitrile
CID 103792131
3-fluoro-4-(furan-3-ylmethoxy)benzonitrile
CID 107670468
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 133376876
3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
CID 107670454
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorobenzonitrile
CID 107143302

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile (CID 107670432) is 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile is CCc1ccc(COc2ccc(C#N)cc2F)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile?
The InChIKey is VXQOPJYACCUEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-2-11-4-5-12(18-11)9-17-14-6-3-10(8-16)7-13(14)15/h3-7H,2,9H2,1H3.
What are the key properties of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile?
4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile has a molecular weight of 261.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 107670432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).