(3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile

C11H16FNO2 — CID 170358854

IUPAC(3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile
SMILESC[C@@]1(C#N)COC(CC2(F)CCOC2)C1
InChIInChI=1S/C11H16FNO2/c1-10(6-13)4-9(15-7-10)5-11(12)2-3-14-8-11/h9H,2-5,7-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyJGWIMFJJNFQYGJ-HSOILSAZSA-N
MW213.25 g/mol
LogP1.82
Rot. Bonds2

About (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile

(3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile (PubChem CID 170358854) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile.

Molecular Properties

Compound Name(3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile
PubChem CID170358854
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile
SMILESC[C@@]1(C#N)COC(CC2(F)CCOC2)C1
InChIInChI=1S/C11H16FNO2/c1-10(6-13)4-9(15-7-10)5-11(12)2-3-14-8-11/h9H,2-5,7-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyJGWIMFJJNFQYGJ-HSOILSAZSA-N
XLogP1.82
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile?
The IUPAC name of (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile (CID 170358854) is (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile.
What is the SMILES notation for (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile?
The canonical SMILES for (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile is C[C@@]1(C#N)COC(CC2(F)CCOC2)C1.
What is the InChIKey of (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile?
The InChIKey is JGWIMFJJNFQYGJ-HSOILSAZSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-10(6-13)4-9(15-7-10)5-11(12)2-3-14-8-11/h9H,2-5,7-8H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile?
(3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile has a molecular weight of 213.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile is sourced from PubChem (CID 170358854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).