(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile

C15H18FNO2 — CID 151001628

IUPAC(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile
SMILESN#C[C@H](COC1CCCCO1)Cc1ccccc1F
InChIInChI=1S/C15H18FNO2/c16-14-6-2-1-5-13(14)9-12(10-17)11-19-15-7-3-4-8-18-15/h1-2,5-6,12,15H,3-4,7-9,11H2/t12-,15?/m1/s1
InChIKeyLUFJRSABZMWWDI-KEKZHRQWSA-N
MW263.31 g/mol
LogP3.05
Rot. Bonds5

About (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile

(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile (PubChem CID 151001628) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile
PubChem CID151001628
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile
SMILESN#C[C@H](COC1CCCCO1)Cc1ccccc1F
InChIInChI=1S/C15H18FNO2/c16-14-6-2-1-5-13(14)9-12(10-17)11-19-15-7-3-4-8-18-15/h1-2,5-6,12,15H,3-4,7-9,11H2/t12-,15?/m1/s1
InChIKeyLUFJRSABZMWWDI-KEKZHRQWSA-N
XLogP3.05
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
CID 82503559
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine
CID 100668376
2-(oxan-2-yloxy)-3-phenylpropanenitrile
CID 14767297
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
3-methyl-2-(oxan-2-yloxy)-4-phenylbutanenitrile
CID 102467228
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile?
The IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile (CID 151001628) is (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile is N#C[C@H](COC1CCCCO1)Cc1ccccc1F.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile?
The InChIKey is LUFJRSABZMWWDI-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-14-6-2-1-5-13(14)9-12(10-17)11-19-15-7-3-4-8-18-15/h1-2,5-6,12,15H,3-4,7-9,11H2/t12-,15?/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile?
(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile has a molecular weight of 263.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile is sourced from PubChem (CID 151001628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).