1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene

C22H25F — CID 22123888

IUPAC1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
SMILESCC/C=C/c1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C22H25F/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h3-12,21-22H,2,13-16H2,1H3/b4-3+
InChIKeyIFBKTWDNHKAKAZ-ONEGZZNKSA-N
MW308.44 g/mol
LogP6.77
Rot. Bonds4

About 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene

1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene (PubChem CID 22123888) has the molecular formula C22H25F and a molecular weight of 308.44 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
PubChem CID22123888
Molecular FormulaC22H25F
Molecular Weight308.44 g/mol
Exact Mass308.19
IUPAC Name1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
SMILESCC/C=C/c1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C22H25F/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h3-12,21-22H,2,13-16H2,1H3/b4-3+
InChIKeyIFBKTWDNHKAKAZ-ONEGZZNKSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.44
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene?
The IUPAC name of 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene (CID 22123888) is 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene is CC/C=C/c1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene?
The InChIKey is IFBKTWDNHKAKAZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C22H25F/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h3-12,21-22H,2,13-16H2,1H3/b4-3+.
What are the key properties of 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene?
1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene has a molecular weight of 308.44 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene is sourced from PubChem (CID 22123888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).