5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile

C16H14FNO — CID 175684040

IUPAC5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2cccc(F)c2)cc1C#N
InChIInChI=1S/C16H14FNO/c1-11(2)19-16-7-6-13(8-14(16)10-18)12-4-3-5-15(17)9-12/h3-9,11H,1-2H3
InChIKeyOQIRQMUSPSHYIZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.15
Rot. Bonds3

About 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile

5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile (PubChem CID 175684040) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile
PubChem CID175684040
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2cccc(F)c2)cc1C#N
InChIInChI=1S/C16H14FNO/c1-11(2)19-16-7-6-13(8-14(16)10-18)12-4-3-5-15(17)9-12/h3-9,11H,1-2H3
InChIKeyOQIRQMUSPSHYIZ-UHFFFAOYSA-N
XLogP4.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684041
5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056
5-(3-chloro-2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684025
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
2-bromo-5-(3-fluorophenyl)benzonitrile
CID 162689899
5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile
CID 175684018
5-(5-bromothiophen-2-yl)-2-propan-2-yloxybenzonitrile
CID 58367148
4-(2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684093
4-(2-chloro-4-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684104
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yloxybenzonitrile
CID 148962938
5-(disulfanyl)-2-propan-2-yloxybenzonitrile
CID 123603788
2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile (CID 175684040) is 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2cccc(F)c2)cc1C#N.
What is the InChIKey of 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile?
The InChIKey is OQIRQMUSPSHYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11(2)19-16-7-6-13(8-14(16)10-18)12-4-3-5-15(17)9-12/h3-9,11H,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile?
5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile has a molecular weight of 255.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 175684040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).