2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene

C20H24F4 — CID 126556663

IUPAC2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCC1CCC(C2CC=C(c3cc(F)c(C(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C20H24F4/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(21)19(20(23)24)18(22)11-16/h8,10-14,20H,2-7,9H2,1H3
InChIKeyUJZJLRDTLBSPSL-UHFFFAOYSA-N
MW340.40 g/mol
LogP6.91
Rot. Bonds3

About 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene

2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 126556663) has the molecular formula C20H24F4 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID126556663
Molecular FormulaC20H24F4
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC Name2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCC1CCC(C2CC=C(c3cc(F)c(C(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C20H24F4/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(21)19(20(23)24)18(22)11-16/h8,10-14,20H,2-7,9H2,1H3
InChIKeyUJZJLRDTLBSPSL-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-methylcyclohexyl)-1-(3,4,5-trifluorophenyl)cyclohexan-1-ol;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 161280092
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 167660699
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 70820677
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-octylbenzene
CID 143772861
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 139890200
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
1-[4-(4-but-1-ynylcyclohexyl)cyclohexen-1-yl]-3,5-difluorobenzene
CID 139890205

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene (CID 126556663) is 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene is CC1CCC(C2CC=C(c3cc(F)c(C(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is UJZJLRDTLBSPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(21)19(20(23)24)18(22)11-16/h8,10-14,20H,2-7,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 340.40 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 126556663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).