5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene

C19H23F5 — CID 162547060

IUPAC5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(C2CCC(C3CCCCC3)CC2)cc(F)c1C(F)(F)F
InChIInChI=1S/C19H23F5/c20-16-10-15(11-17(21)18(16)19(22,23)24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h10-14H,1-9H2
InChIKeyWLGFCESXLNKBTC-UHFFFAOYSA-N
MW346.38 g/mol
LogP6.84
Rot. Bonds2

About 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene

5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene (PubChem CID 162547060) has the molecular formula C19H23F5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
PubChem CID162547060
Molecular FormulaC19H23F5
Molecular Weight346.38 g/mol
Exact Mass346.17
IUPAC Name5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(C2CCC(C3CCCCC3)CC2)cc(F)c1C(F)(F)F
InChIInChI=1S/C19H23F5/c20-16-10-15(11-17(21)18(16)19(22,23)24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h10-14H,1-9H2
InChIKeyWLGFCESXLNKBTC-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
CID 134447912
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 19039186
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868571
1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 145154508
5-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 118283125
1,3-difluoro-5-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 54517135
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67589506
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
1-chloro-4-(4-cyclohexylcyclohexyl)benzene;5-(4-cyclohexylcyclohexyl)-1,2,3-trifluorobenzene
CID 144554072
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654001
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene (CID 162547060) is 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene is Fc1cc(C2CCC(C3CCCCC3)CC2)cc(F)c1C(F)(F)F.
What is the InChIKey of 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
The InChIKey is WLGFCESXLNKBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F5/c20-16-10-15(11-17(21)18(16)19(22,23)24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h10-14H,1-9H2.
What are the key properties of 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene has a molecular weight of 346.38 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 162547060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).