2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene

C37H39F5 — CID 146810783

IUPAC2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(C)c1c(C)c(F)cc2c1CCC(CCC1CCc3cc(-c4cc5c(c(F)c4F)CC(C)CC5)c(F)c(F)c3C1)C2
InChIInChI=1S/C37H39F5/c1-19(2)33-21(4)32(38)18-26-14-22(9-12-27(26)33)6-7-23-8-11-25-17-31(37(42)35(40)29(25)15-23)30-16-24-10-5-20(3)13-28(24)34(39)36(30)41/h16-18,20,22-23H,1,5-15H2,2-4H3
InChIKeySAACILNLDTVFFO-UHFFFAOYSA-N
MW578.71 g/mol
LogP10.21
Rot. Bonds5

About 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene

2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 146810783) has the molecular formula C37H39F5 and a molecular weight of 578.71 g/mol. Its IUPAC name is 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID146810783
Molecular FormulaC37H39F5
Molecular Weight578.71 g/mol
Exact Mass578.30
IUPAC Name2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(C)c1c(C)c(F)cc2c1CCC(CCC1CCc3cc(-c4cc5c(c(F)c4F)CC(C)CC5)c(F)c(F)c3C1)C2
InChIInChI=1S/C37H39F5/c1-19(2)33-21(4)32(38)18-26-14-22(9-12-27(26)33)6-7-23-8-11-25-17-31(37(42)35(40)29(25)15-23)30-16-24-10-5-20(3)13-28(24)34(39)36(30)41/h16-18,20,22-23H,1,5-15H2,2-4H3
InChIKeySAACILNLDTVFFO-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene (CID 146810783) is 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene is C=C(C)c1c(C)c(F)cc2c1CCC(CCC1CCc3cc(-c4cc5c(c(F)c4F)CC(C)CC5)c(F)c(F)c3C1)C2.
What is the InChIKey of 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SAACILNLDTVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39F5/c1-19(2)33-21(4)32(38)18-26-14-22(9-12-27(26)33)6-7-23-8-11-25-17-31(37(42)35(40)29(25)15-23)30-16-24-10-5-20(3)13-28(24)34(39)36(30)41/h16-18,20,22-23H,1,5-15H2,2-4H3.
What are the key properties of 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 578.71 g/mol, XLogP of 10.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]-7-fluoro-6-methyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 146810783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).