2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile

C17H21F2NO — CID 23052003

IUPAC2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
SMILESCCCC1CCC(COc2ccc(C#N)c(F)c2F)CC1
InChIInChI=1S/C17H21F2NO/c1-2-3-12-4-6-13(7-5-12)11-21-15-9-8-14(10-20)16(18)17(15)19/h8-9,12-13H,2-7,11H2,1H3
InChIKeyUWCBUIWOYSXYIQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.82
Rot. Bonds5

About 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile

2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile (PubChem CID 23052003) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
PubChem CID23052003
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
SMILESCCCC1CCC(COc2ccc(C#N)c(F)c2F)CC1
InChIInChI=1S/C17H21F2NO/c1-2-3-12-4-6-13(7-5-12)11-21-15-9-8-14(10-20)16(18)17(15)19/h8-9,12-13H,2-7,11H2,1H3
InChIKeyUWCBUIWOYSXYIQ-UHFFFAOYSA-N
XLogP4.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzonitrile
CID 23052033
2,3-difluoro-4-[[4-(4-hexylcyclohexyl)cyclohexyl]methoxy]benzonitrile
CID 18639251
2,3-difluoro-4-[[4-(4-hexoxycyclohexyl)cyclohexyl]methoxy]benzonitrile
CID 18639252
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
2,3-difluoro-4-[[4-(4-hexoxyphenyl)cyclohexyl]methoxy]benzonitrile
CID 23052126
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
2-bromo-4-(2-cyclopropylethoxy)-3-fluorobenzonitrile
CID 106201470

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile (CID 23052003) is 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile is CCCC1CCC(COc2ccc(C#N)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile?
The InChIKey is UWCBUIWOYSXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO/c1-2-3-12-4-6-13(7-5-12)11-21-15-9-8-14(10-20)16(18)17(15)19/h8-9,12-13H,2-7,11H2,1H3.
What are the key properties of 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile?
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile has a molecular weight of 293.36 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile is sourced from PubChem (CID 23052003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).