(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile

C13H14FNO2 — CID 142540579

IUPAC(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile
SMILESN#C[C@H]1CC[C@@H](COCc2ccccc2F)O1
InChIInChI=1S/C13H14FNO2/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-4,11-12H,5-6,8-9H2/t11-,12+/m1/s1
InChIKeyBDQAPXCZTKQDTC-NEPJUHHUSA-N
MW235.26 g/mol
LogP2.41
Rot. Bonds4

About (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile

(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile (PubChem CID 142540579) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile.

Molecular Properties

Compound Name(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile
PubChem CID142540579
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile
SMILESN#C[C@H]1CC[C@@H](COCc2ccccc2F)O1
InChIInChI=1S/C13H14FNO2/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-4,11-12H,5-6,8-9H2/t11-,12+/m1/s1
InChIKeyBDQAPXCZTKQDTC-NEPJUHHUSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine
CID 63937792
2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane
CID 70568995
bis((4-fluorophenyl)methanol);(2R,5S)-5-[(4-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile
CID 142540543
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile
CID 130274489
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile
CID 102633564

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile?
The IUPAC name of (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile (CID 142540579) is (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile.
What is the SMILES notation for (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile?
The canonical SMILES for (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile is N#C[C@H]1CC[C@@H](COCc2ccccc2F)O1.
What is the InChIKey of (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile?
The InChIKey is BDQAPXCZTKQDTC-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-4,11-12H,5-6,8-9H2/t11-,12+/m1/s1.
What are the key properties of (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile?
(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile has a molecular weight of 235.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile is sourced from PubChem (CID 142540579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).