7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C23H25F3 — CID 139848801

IUPAC7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(c2ccc(C3CCc4ccc(F)c(F)c4C3)c(F)c2)CC1
InChIInChI=1S/C23H25F3/c1-14-2-4-15(5-3-14)17-8-10-19(22(25)13-17)18-7-6-16-9-11-21(24)23(26)20(16)12-18/h8-11,13-15,18H,2-7,12H2,1H3
InChIKeyRVYDKVRXWLQXHM-UHFFFAOYSA-N
MW358.45 g/mol
LogP6.67
Rot. Bonds2

About 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene

7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848801) has the molecular formula C23H25F3 and a molecular weight of 358.45 g/mol. Its IUPAC name is 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139848801
Molecular FormulaC23H25F3
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(c2ccc(C3CCc4ccc(F)c(F)c4C3)c(F)c2)CC1
InChIInChI=1S/C23H25F3/c1-14-2-4-15(5-3-14)17-8-10-19(22(25)13-17)18-7-6-16-9-11-21(24)23(26)20(16)12-18/h8-11,13-15,18H,2-7,12H2,1H3
InChIKeyRVYDKVRXWLQXHM-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139848801) is 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene is CC1CCC(c2ccc(C3CCc4ccc(F)c(F)c4C3)c(F)c2)CC1.
What is the InChIKey of 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RVYDKVRXWLQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3/c1-14-2-4-15(5-3-14)17-8-10-19(22(25)13-17)18-7-6-16-9-11-21(24)23(26)20(16)12-18/h8-11,13-15,18H,2-7,12H2,1H3.
What are the key properties of 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 358.45 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).