2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile

C13H15FN2O — CID 60697164

IUPAC2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
SMILESN#CC(NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c14-11-5-3-10(4-6-11)13(8-15)16-9-12-2-1-7-17-12/h3-6,12-13,16H,1-2,7,9H2
InChIKeyFBSMHPRXNNFLEB-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile

2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile (PubChem CID 60697164) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
PubChem CID60697164
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
SMILESN#CC(NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c14-11-5-3-10(4-6-11)13(8-15)16-9-12-2-1-7-17-12/h3-6,12-13,16H,1-2,7,9H2
InChIKeyFBSMHPRXNNFLEB-UHFFFAOYSA-N
XLogP2.16
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 54887336
2-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61006052
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
CID 43196282
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(4-chloro-3-nitrophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 84817045
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 55062169
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61346986
4-(4-fluorophenyl)-4-hydroxy-3-(oxolan-2-ylmethylamino)butanoic acid
CID 82347965
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
CID 79437936

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile (CID 60697164) is 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile is N#CC(NCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The InChIKey is FBSMHPRXNNFLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-11-5-3-10(4-6-11)13(8-15)16-9-12-2-1-7-17-12/h3-6,12-13,16H,1-2,7,9H2.
What are the key properties of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile?
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 60697164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).