2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene

C24H28F2 — CID 139848253

IUPAC2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCC(c2ccc(C3CCc4ccc(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C24H28F2/c1-2-16-3-5-17(6-4-16)19-10-12-23(24(26)15-19)20-8-7-18-9-11-22(25)14-21(18)13-20/h9-12,14-17,20H,2-8,13H2,1H3
InChIKeyAFCKINLZEHNDOY-UHFFFAOYSA-N
MW354.48 g/mol
LogP6.92
Rot. Bonds3

About 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene

2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848253) has the molecular formula C24H28F2 and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139848253
Molecular FormulaC24H28F2
Molecular Weight354.48 g/mol
Exact Mass354.22
IUPAC Name2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCC(c2ccc(C3CCc4ccc(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C24H28F2/c1-2-16-3-5-17(6-4-16)19-10-12-23(24(26)15-19)20-8-7-18-9-11-22(25)14-21(18)13-20/h9-12,14-17,20H,2-8,13H2,1H3
InChIKeyAFCKINLZEHNDOY-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-fluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848525
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849040
3-fluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848490
6-ethyl-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849224
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139847966
7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848801
5,6-difluoro-2-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849831
6-but-2-enoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848843
2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849045
6-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849828
2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene
CID 139961550
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139848253) is 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is CCC1CCC(c2ccc(C3CCc4ccc(F)cc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AFCKINLZEHNDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2/c1-2-16-3-5-17(6-4-16)19-10-12-23(24(26)15-19)20-8-7-18-9-11-22(25)14-21(18)13-20/h9-12,14-17,20H,2-8,13H2,1H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 354.48 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).