2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile

C10H9F3N2O — CID 43752912

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile
SMILESN#Cc1ccccc1OC(CN)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(6-15)16-8-4-2-1-3-7(8)5-14/h1-4,9H,6,15H2
InChIKeyBHUYQUJYBKHHBK-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile

2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile (PubChem CID 43752912) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile
PubChem CID43752912
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile
SMILESN#Cc1ccccc1OC(CN)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(6-15)16-8-4-2-1-3-7(8)5-14/h1-4,9H,6,15H2
InChIKeyBHUYQUJYBKHHBK-UHFFFAOYSA-N
XLogP1.83
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile (CID 43752912) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile is N#Cc1ccccc1OC(CN)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile?
The InChIKey is BHUYQUJYBKHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)9(6-15)16-8-4-2-1-3-7(8)5-14/h1-4,9H,6,15H2.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile?
2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile has a molecular weight of 230.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile is sourced from PubChem (CID 43752912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).