2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile

C11H13FN2O — CID 60662358

IUPAC2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile
SMILESCOCC(C)Nc1cccc(F)c1C#N
InChIInChI=1S/C11H13FN2O/c1-8(7-15-2)14-11-5-3-4-10(12)9(11)6-13/h3-5,8,14H,7H2,1-2H3
InChIKeyMHOHWTPVUGKHMT-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.14
Rot. Bonds4

About 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile

2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile (PubChem CID 60662358) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile
PubChem CID60662358
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile
SMILESCOCC(C)Nc1cccc(F)c1C#N
InChIInChI=1S/C11H13FN2O/c1-8(7-15-2)14-11-5-3-4-10(12)9(11)6-13/h3-5,8,14H,7H2,1-2H3
InChIKeyMHOHWTPVUGKHMT-UHFFFAOYSA-N
XLogP2.14
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile (CID 60662358) is 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile is COCC(C)Nc1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile?
The InChIKey is MHOHWTPVUGKHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8(7-15-2)14-11-5-3-4-10(12)9(11)6-13/h3-5,8,14H,7H2,1-2H3.
What are the key properties of 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile?
2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile has a molecular weight of 208.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-methoxypropan-2-ylamino)benzonitrile is sourced from PubChem (CID 60662358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).