4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile

C10H8F3NO — CID 175544534

IUPAC4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile
SMILESN#Cc1ccc(OC(CF)C(F)F)cc1
InChIInChI=1S/C10H8F3NO/c11-5-9(10(12)13)15-8-3-1-7(6-14)2-4-8/h1-4,9-10H,5H2
InChIKeyLXXOQTNVDHZBCI-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.54
Rot. Bonds4

About 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile

4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile (PubChem CID 175544534) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile.

Molecular Properties

Compound Name4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile
PubChem CID175544534
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile
SMILESN#Cc1ccc(OC(CF)C(F)F)cc1
InChIInChI=1S/C10H8F3NO/c11-5-9(10(12)13)15-8-3-1-7(6-14)2-4-8/h1-4,9-10H,5H2
InChIKeyLXXOQTNVDHZBCI-UHFFFAOYSA-N
XLogP2.54
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)benzonitrile
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4-[phenoxy-[4-(phenoxymethoxy)phenoxy]methoxy]benzonitrile
CID 130209313
4-[(1S,2R)-1,2-dibromopropoxy]benzonitrile
CID 101236148
azane;benzene-1,4-dicarbonitrile
CID 174336566
ethane;4-hexan-3-yloxybenzonitrile
CID 143097609
1-(difluoromethoxy)-4-(fluoromethoxy)benzene
CID 137408791
4-[tris(2-methylpropyl)silyloxy]benzonitrile
CID 532691
4-(2-amino-1-phenylethoxy)benzonitrile
CID 55017587
4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile?
The IUPAC name of 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile (CID 175544534) is 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile.
What is the SMILES notation for 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile?
The canonical SMILES for 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile is N#Cc1ccc(OC(CF)C(F)F)cc1.
What is the InChIKey of 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile?
The InChIKey is LXXOQTNVDHZBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-5-9(10(12)13)15-8-3-1-7(6-14)2-4-8/h1-4,9-10H,5H2.
What are the key properties of 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile?
4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile has a molecular weight of 215.17 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile is sourced from PubChem (CID 175544534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).