4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile

C16H18FN — CID 54020861

IUPAC4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(CC=CF)CC2)cc1
InChIInChI=1S/C16H18FN/c17-11-1-2-13-3-7-15(8-4-13)16-9-5-14(12-18)6-10-16/h1,5-6,9-11,13,15H,2-4,7-8H2
InChIKeyKYVAEZAQWGONLT-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.71
Rot. Bonds3

About 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile

4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile (PubChem CID 54020861) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile
PubChem CID54020861
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(CC=CF)CC2)cc1
InChIInChI=1S/C16H18FN/c17-11-1-2-13-3-7-15(8-4-13)16-9-5-14(12-18)6-10-16/h1,5-6,9-11,13,15H,2-4,7-8H2
InChIKeyKYVAEZAQWGONLT-UHFFFAOYSA-N
XLogP4.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile?
The IUPAC name of 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile (CID 54020861) is 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile?
The canonical SMILES for 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile is N#Cc1ccc(C2CCC(CC=CF)CC2)cc1.
What is the InChIKey of 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile?
The InChIKey is KYVAEZAQWGONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c17-11-1-2-13-3-7-15(8-4-13)16-9-5-14(12-18)6-10-16/h1,5-6,9-11,13,15H,2-4,7-8H2.
What are the key properties of 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile?
4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile has a molecular weight of 243.33 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile is sourced from PubChem (CID 54020861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).