4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile

C19H18FN — CID 143183515

IUPAC4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H18FN/c1-2-14-11-13(12-21)3-10-18(14)19(15-4-5-15)16-6-8-17(20)9-7-16/h3,6-11,15,19H,2,4-5H2,1H3
InChIKeyJUMUFAANLDQDGO-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.80
Rot. Bonds4

About 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile

4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile (PubChem CID 143183515) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile.

Molecular Properties

Compound Name4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile
PubChem CID143183515
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H18FN/c1-2-14-11-13(12-21)3-10-18(14)19(15-4-5-15)16-6-8-17(20)9-7-16/h3,6-11,15,19H,2,4-5H2,1H3
InChIKeyJUMUFAANLDQDGO-UHFFFAOYSA-N
XLogP4.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-3-ethylbenzonitrile
CID 171631043
4-fluoro-3-[[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzonitrile
CID 111109176
4-fluoro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]benzonitrile
CID 81348169
2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene
CID 168744477
4-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113254203
4-fluoro-3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103657062
3-fluoro-4-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile
CID 166089118
3-fluoro-4-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]benzonitrile
CID 81347792
4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile
CID 142243331
(2-ethyl-4-fluorophenyl)-(4-fluorophenyl)methanol
CID 146466403
3-[[[(1R)-1-cyclohexylethyl]amino]methyl]-4-fluorobenzonitrile
CID 81384437
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
CID 55270127

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile?
The IUPAC name of 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile (CID 143183515) is 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile.
What is the SMILES notation for 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile?
The canonical SMILES for 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile is CCc1cc(C#N)ccc1C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile?
The InChIKey is JUMUFAANLDQDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-2-14-11-13(12-21)3-10-18(14)19(15-4-5-15)16-6-8-17(20)9-7-16/h3,6-11,15,19H,2,4-5H2,1H3.
What are the key properties of 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile?
4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile has a molecular weight of 279.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile is sourced from PubChem (CID 143183515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).