2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene

C16H22F2O — CID 70841823

IUPAC2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCF)c(F)c2)CC1
InChIInChI=1S/C16H22F2O/c1-2-3-12-4-6-13(7-5-12)14-8-9-16(19-11-17)15(18)10-14/h8-10,12-13H,2-7,11H2,1H3
InChIKeyFXNITINITQGYSW-UHFFFAOYSA-N
MW268.35 g/mol
LogP5.21
Rot. Bonds5

About 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene

2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene (PubChem CID 70841823) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
PubChem CID70841823
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCF)c(F)c2)CC1
InChIInChI=1S/C16H22F2O/c1-2-3-12-4-6-13(7-5-12)14-8-9-16(19-11-17)15(18)10-14/h8-10,12-13H,2-7,11H2,1H3
InChIKeyFXNITINITQGYSW-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform
CID 157103030
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
CID 118595774
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-fluoro-1-propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 67864505
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
4-[(1S,4R)-3,3-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-1-ethoxy-2-fluorobenzene
CID 139604059
2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 22080061
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
CID 162516344

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene (CID 70841823) is 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OCF)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene?
The InChIKey is FXNITINITQGYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-2-3-12-4-6-13(7-5-12)14-8-9-16(19-11-17)15(18)10-14/h8-10,12-13H,2-7,11H2,1H3.
What are the key properties of 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene?
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene has a molecular weight of 268.35 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 70841823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).