3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile

C14H14FNO2 — CID 66362848

IUPAC3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile
SMILESN#CC1(CC2Cc3cc(F)ccc3O2)CCOC1
InChIInChI=1S/C14H14FNO2/c15-11-1-2-13-10(5-11)6-12(18-13)7-14(8-16)3-4-17-9-14/h1-2,5,12H,3-4,6-7,9H2
InChIKeyBFMDKICWQDNDIC-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.45
Rot. Bonds2

About 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile

3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile (PubChem CID 66362848) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile
PubChem CID66362848
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile
SMILESN#CC1(CC2Cc3cc(F)ccc3O2)CCOC1
InChIInChI=1S/C14H14FNO2/c15-11-1-2-13-10(5-11)6-12(18-13)7-14(8-16)3-4-17-9-14/h1-2,5,12H,3-4,6-7,9H2
InChIKeyBFMDKICWQDNDIC-UHFFFAOYSA-N
XLogP2.45
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 66360702
N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 66360703
3-[(4-fluoro-2-methylphenyl)methyl]oxolane-3-carbonitrile
CID 114349714
4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexane-1-carbonitrile
CID 66392942
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534064
5-fluoro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzonitrile
CID 82683580
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile
CID 66363731
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66362246
3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine
CID 79451353
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
CID 66361314
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine
CID 66362469

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile?
The IUPAC name of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile (CID 66362848) is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile.
What is the SMILES notation for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile?
The canonical SMILES for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile is N#CC1(CC2Cc3cc(F)ccc3O2)CCOC1.
What is the InChIKey of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile?
The InChIKey is BFMDKICWQDNDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-1-2-13-10(5-11)6-12(18-13)7-14(8-16)3-4-17-9-14/h1-2,5,12H,3-4,6-7,9H2.
What are the key properties of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile?
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile has a molecular weight of 247.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carbonitrile is sourced from PubChem (CID 66362848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).