3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile

C13H14FNO2 — CID 142798963

IUPAC3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile
SMILESN#CC1(COCc2ccccc2)OCCC1F
InChIInChI=1S/C13H14FNO2/c14-12-6-7-17-13(12,9-15)10-16-8-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2
InChIKeySRTHWDHWCRTXDZ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.22
Rot. Bonds4

About 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile

3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile (PubChem CID 142798963) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile
PubChem CID142798963
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile
SMILESN#CC1(COCc2ccccc2)OCCC1F
InChIInChI=1S/C13H14FNO2/c14-12-6-7-17-13(12,9-15)10-16-8-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2
InChIKeySRTHWDHWCRTXDZ-UHFFFAOYSA-N
XLogP2.22
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane
CID 178086596
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane
CID 102315051
[5-acetyloxy-6a-(phenylmethoxymethyl)-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-4-yl] acetate
CID 139879922
(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]
CID 16723239
(4S,6R)-2-methyl-5-phenylmethoxy-4,6-bis(phenylmethoxymethyl)-1,3-dioxane-2-carbonitrile
CID 11294426
(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
CID 10966198
cis-(2S,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 11230049
(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan
CID 145031681

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile?
The IUPAC name of 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile (CID 142798963) is 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile.
What is the SMILES notation for 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile?
The canonical SMILES for 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile is N#CC1(COCc2ccccc2)OCCC1F.
What is the InChIKey of 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile?
The InChIKey is SRTHWDHWCRTXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-12-6-7-17-13(12,9-15)10-16-8-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2.
What are the key properties of 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile?
3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile has a molecular weight of 235.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 142798963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).