3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene

C15H14F2 — CID 145436419

IUPAC3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene
SMILESCc1ccc2cc3c(cc2c1)C(F)(F)C(C)C3
InChIInChI=1S/C15H14F2/c1-9-3-4-11-7-13-6-10(2)15(16,17)14(13)8-12(11)5-9/h3-5,7-8,10H,6H2,1-2H3
InChIKeyVHELWPJXNPFTTR-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.43
Rot. Bonds

About 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene

3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene (PubChem CID 145436419) has the molecular formula C15H14F2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene.

Molecular Properties

Compound Name3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene
PubChem CID145436419
Molecular FormulaC15H14F2
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene
SMILESCc1ccc2cc3c(cc2c1)C(F)(F)C(C)C3
InChIInChI=1S/C15H14F2/c1-9-3-4-11-7-13-6-10(2)15(16,17)14(13)8-12(11)5-9/h3-5,7-8,10H,6H2,1-2H3
InChIKeyVHELWPJXNPFTTR-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene 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

2,9-dimethylpentacene
CID 11460950
3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene
CID 59340809
(7-methylnaphthalen-2-yl) hypofluorite
CID 145418939
(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane
CID 170248102
6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 145162693
2,6-dimethylnaphthalene;propane
CID 142191183
2,3-dichloro-6-methylnaphthalene
CID 21366530
6-methyl-2,3-dimethylidenenaphthalene
CID 123701637
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 163891740
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 163621135
2,2-difluoro-5-methyl-1,3-dihydroindene
CID 138628579

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene?
The IUPAC name of 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene (CID 145436419) is 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene.
What is the SMILES notation for 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene?
The canonical SMILES for 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene is Cc1ccc2cc3c(cc2c1)C(F)(F)C(C)C3.
What is the InChIKey of 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene?
The InChIKey is VHELWPJXNPFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2/c1-9-3-4-11-7-13-6-10(2)15(16,17)14(13)8-12(11)5-9/h3-5,7-8,10H,6H2,1-2H3.
What are the key properties of 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene?
3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene has a molecular weight of 232.27 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,6-dimethyl-1,2-dihydrocyclopenta[b]naphthalene is sourced from PubChem (CID 145436419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).