2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform

C21H29F5O — CID 157103030

IUPAC2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform
SMILESCC1CCC(C2CCC(c3ccc(OCF)c(F)c3)CC2)CC1.FC(F)F
InChIInChI=1S/C20H28F2O.CHF3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-20(23-13-21)19(22)12-18;2-1(3)4/h10-12,14-17H,2-9,13H2,1H3;1H
InChIKeyAFZFEELDNQAYBG-UHFFFAOYSA-N
MW392.45 g/mol
LogP7.41
Rot. Bonds4

About 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform

2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform (PubChem CID 157103030) has the molecular formula C21H29F5O and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform.

Molecular Properties

Compound Name2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform
PubChem CID157103030
Molecular FormulaC21H29F5O
Molecular Weight392.45 g/mol
Exact Mass392.21
IUPAC Name2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform
SMILESCC1CCC(C2CCC(c3ccc(OCF)c(F)c3)CC2)CC1.FC(F)F
InChIInChI=1S/C20H28F2O.CHF3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-20(23-13-21)19(22)12-18;2-1(3)4/h10-12,14-17H,2-9,13H2,1H3;1H
InChIKeyAFZFEELDNQAYBG-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837275
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 88998143
2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 22080061
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform?
The IUPAC name of 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform (CID 157103030) is 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform.
What is the SMILES notation for 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform?
The canonical SMILES for 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform is CC1CCC(C2CCC(c3ccc(OCF)c(F)c3)CC2)CC1.FC(F)F.
What is the InChIKey of 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform?
The InChIKey is AFZFEELDNQAYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2O.CHF3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-20(23-13-21)19(22)12-18;2-1(3)4/h10-12,14-17H,2-9,13H2,1H3;1H.
What are the key properties of 2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform?
2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform has a molecular weight of 392.45 g/mol, XLogP of 7.41, 4 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-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform is sourced from PubChem (CID 157103030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).