2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene

C27H25F5 — CID 139856385

IUPAC2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4c(F)c(C=C(F)F)c(F)cc4c3)c(F)c2)CC1
InChIInChI=1S/C27H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-21(24(28)13-18)19-9-11-22-20(12-19)14-25(29)23(27(22)32)15-26(30)31/h8-17H,2-7H2,1H3
InChIKeyHHQAQFNOUABKKI-UHFFFAOYSA-N
MW444.49 g/mol
LogP9.24
Rot. Bonds5

About 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene

2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene (PubChem CID 139856385) has the molecular formula C27H25F5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene
PubChem CID139856385
Molecular FormulaC27H25F5
Molecular Weight444.49 g/mol
Exact Mass444.19
IUPAC Name2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4c(F)c(C=C(F)F)c(F)cc4c3)c(F)c2)CC1
InChIInChI=1S/C27H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-21(24(28)13-18)19-9-11-22-20(12-19)14-25(29)23(27(22)32)15-26(30)31/h8-17H,2-7H2,1H3
InChIKeyHHQAQFNOUABKKI-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene with MolForge

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Related Compounds

6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
CID 139850003
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139856184
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856331
2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
CID 19765472
1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
CID 122609106
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene (CID 139856385) is 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene is CCCC1CCC(c2ccc(-c3ccc4c(F)c(C=C(F)F)c(F)cc4c3)c(F)c2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene?
The InChIKey is HHQAQFNOUABKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-21(24(28)13-18)19-9-11-22-20(12-19)14-25(29)23(27(22)32)15-26(30)31/h8-17H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene?
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene has a molecular weight of 444.49 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene is sourced from PubChem (CID 139856385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).