2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile

C11H13FN2O — CID 10889110

IUPAC2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile
SMILESN#CC(N)(CF)COCc1ccccc1
InChIInChI=1S/C11H13FN2O/c12-7-11(14,8-13)9-15-6-10-4-2-1-3-5-10/h1-5H,6-7,9,14H2
InChIKeyIABDCRQUKHZQCH-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile

2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile (PubChem CID 10889110) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile
PubChem CID10889110
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile
SMILESN#CC(N)(CF)COCc1ccccc1
InChIInChI=1S/C11H13FN2O/c12-7-11(14,8-13)9-15-6-10-4-2-1-3-5-10/h1-5H,6-7,9,14H2
InChIKeyIABDCRQUKHZQCH-UHFFFAOYSA-N
XLogP1.39
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Benzyloxy)propionitrile
CID 80620
1-(Benzyloxy)propan-2-amine
CID 296020
2-Amino-2-[(benzyloxy)methyl]propane-1,3-diol
CID 720755
2-(Benzyloxy)ethanamine
CID 533868
2-(Benzyloxy)acetonitrile
CID 3398610
4-(Benzyloxy)butanenitrile
CID 20458213
2-(Benzyloxy)propan-1-amine
CID 296015
1-[2-(Benzyloxy)ethyl]cyclopropan-1-amine
CID 10997842
2-Amino-2-{[(4-fluorophenyl)methoxy]methyl}propane-1,3-diol
CID 830696
2-(Benzyloxy)ethanamine hydrochloride
CID 2794786
(2S)-1-(benzyloxy)propan-2-amine
CID 12815225
3-(Benzyloxy)propane-1,2-diamine
CID 14316768

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile?
The IUPAC name of 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile (CID 10889110) is 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile?
The canonical SMILES for 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile is N#CC(N)(CF)COCc1ccccc1.
What is the InChIKey of 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile?
The InChIKey is IABDCRQUKHZQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-7-11(14,8-13)9-15-6-10-4-2-1-3-5-10/h1-5H,6-7,9,14H2.
What are the key properties of 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile?
2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile has a molecular weight of 208.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)-3-phenylmethoxypropanenitrile is sourced from PubChem (CID 10889110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).