6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene

C19H24F2 — CID 139961519

IUPAC6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
SMILESCCCC1CCC(C2=CCc3cc(F)c(F)cc3C2)CC1
InChIInChI=1S/C19H24F2/c1-2-3-13-4-6-14(7-5-13)15-8-9-16-11-18(20)19(21)12-17(16)10-15/h8,11-14H,2-7,9-10H2,1H3
InChIKeyFBTOETQSQBOPSK-UHFFFAOYSA-N
MW290.40 g/mol
LogP5.60
Rot. Bonds3

About 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene

6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene (PubChem CID 139961519) has the molecular formula C19H24F2 and a molecular weight of 290.40 g/mol. Its IUPAC name is 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
PubChem CID139961519
Molecular FormulaC19H24F2
Molecular Weight290.40 g/mol
Exact Mass290.18
IUPAC Name6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
SMILESCCCC1CCC(C2=CCc3cc(F)c(F)cc3C2)CC1
InChIInChI=1S/C19H24F2/c1-2-3-13-4-6-14(7-5-13)15-8-9-16-11-18(20)19(21)12-17(16)10-15/h8,11-14H,2-7,9-10H2,1H3
InChIKeyFBTOETQSQBOPSK-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
2-(4-pentylcyclohexyl)-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948914
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961510
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 141089582
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948906
5,7-difluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-(4-pentylcyclohexyl)-1,4-dihydronaphthalene
CID 139948737
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139961611

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene?
The IUPAC name of 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene (CID 139961519) is 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene.
What is the SMILES notation for 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene?
The canonical SMILES for 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene is CCCC1CCC(C2=CCc3cc(F)c(F)cc3C2)CC1.
What is the InChIKey of 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene?
The InChIKey is FBTOETQSQBOPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2/c1-2-3-13-4-6-14(7-5-13)15-8-9-16-11-18(20)19(21)12-17(16)10-15/h8,11-14H,2-7,9-10H2,1H3.
What are the key properties of 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene?
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene has a molecular weight of 290.40 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene is sourced from PubChem (CID 139961519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).