2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile

C22H23F2NO — CID 58782892

IUPAC2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile
SMILESCCCC1CCC(c2ccc(-c3cc(O)c(C#N)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C22H23F2NO/c1-2-3-14-4-6-15(7-5-14)16-8-9-18(20(23)10-16)17-11-21(24)19(13-25)22(26)12-17/h8-12,14-15,26H,2-7H2,1H3
InChIKeyPNDUACFPBDXMAI-UHFFFAOYSA-N
MW355.43 g/mol
LogP6.28
Rot. Bonds4

About 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile

2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile (PubChem CID 58782892) has the molecular formula C22H23F2NO and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile
PubChem CID58782892
Molecular FormulaC22H23F2NO
Molecular Weight355.43 g/mol
Exact Mass355.17
IUPAC Name2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile
SMILESCCCC1CCC(c2ccc(-c3cc(O)c(C#N)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C22H23F2NO/c1-2-3-14-4-6-15(7-5-14)16-8-9-18(20(23)10-16)17-11-21(24)19(13-25)22(26)12-17/h8-12,14-15,26H,2-7H2,1H3
InChIKeyPNDUACFPBDXMAI-UHFFFAOYSA-N
XLogP6.28
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.43
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2,6-difluoro-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzonitrile
CID 102416028
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
1,3-difluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enoxy]benzene
CID 90293858
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-2-(1,1,2,3,3,3-hexafluoropropyl)benzene
CID 22080196
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
4-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-2,6-difluorobenzonitrile
CID 139725215
2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
CID 20603170

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile?
The IUPAC name of 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile (CID 58782892) is 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile.
What is the SMILES notation for 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile?
The canonical SMILES for 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile is CCCC1CCC(c2ccc(-c3cc(O)c(C#N)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile?
The InChIKey is PNDUACFPBDXMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO/c1-2-3-14-4-6-15(7-5-14)16-8-9-18(20(23)10-16)17-11-21(24)19(13-25)22(26)12-17/h8-12,14-15,26H,2-7H2,1H3.
What are the key properties of 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile?
2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile has a molecular weight of 355.43 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile is sourced from PubChem (CID 58782892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).