1,3-difluoro-2-(4-methylidenecyclohexyl)benzene

C13H14F2 — CID 91326891

IUPAC1,3-difluoro-2-(4-methylidenecyclohexyl)benzene
SMILESC=C1CCC(c2c(F)cccc2F)CC1
InChIInChI=1S/C13H14F2/c1-9-5-7-10(8-6-9)13-11(14)3-2-4-12(13)15/h2-4,10H,1,5-8H2
InChIKeyWMALNBIJXNHPOC-UHFFFAOYSA-N
MW208.25 g/mol
LogP4.18
Rot. Bonds1

About 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene

1,3-difluoro-2-(4-methylidenecyclohexyl)benzene (PubChem CID 91326891) has the molecular formula C13H14F2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(4-methylidenecyclohexyl)benzene
PubChem CID91326891
Molecular FormulaC13H14F2
Molecular Weight208.25 g/mol
Exact Mass208.11
IUPAC Name1,3-difluoro-2-(4-methylidenecyclohexyl)benzene
SMILESC=C1CCC(c2c(F)cccc2F)CC1
InChIInChI=1S/C13H14F2/c1-9-5-7-10(8-6-9)13-11(14)3-2-4-12(13)15/h2-4,10H,1,5-8H2
InChIKeyWMALNBIJXNHPOC-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-3-fluorophenol
CID 117104118
1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
CID 176552656
3-fluoro-2-(oxan-4-yl)phenol
CID 117104359
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
2-cyclobutyl-3-fluorobenzamide
CID 89477243
3-(2,6-difluorophenyl)cyclohexan-1-ol
CID 64514606
1-chloro-3-(2,6-difluorophenyl)cycloheptane
CID 64508867
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
2-(2,6-difluorophenyl)cyclobutan-1-amine
CID 81014368

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene (CID 91326891) is 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene is C=C1CCC(c2c(F)cccc2F)CC1.
What is the InChIKey of 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene?
The InChIKey is WMALNBIJXNHPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2/c1-9-5-7-10(8-6-9)13-11(14)3-2-4-12(13)15/h2-4,10H,1,5-8H2.
What are the key properties of 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene?
1,3-difluoro-2-(4-methylidenecyclohexyl)benzene has a molecular weight of 208.25 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(4-methylidenecyclohexyl)benzene is sourced from PubChem (CID 91326891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).