1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene

C14H16F2O — CID 18920859

IUPAC1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene
SMILESCOC=C1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C14H16F2O/c1-17-9-10-5-7-11(8-6-10)12-3-2-4-13(15)14(12)16/h2-4,9,11H,5-8H2,1H3/b10-9-
InChIKeyULXSDBBZMOPWAR-KTKRTIGZSA-N
MW238.28 g/mol
LogP4.15
Rot. Bonds2

About 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene

1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene (PubChem CID 18920859) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene
PubChem CID18920859
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene
SMILESCOC=C1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C14H16F2O/c1-17-9-10-5-7-11(8-6-10)12-3-2-4-13(15)14(12)16/h2-4,9,11H,5-8H2,1H3/b10-9-
InChIKeyULXSDBBZMOPWAR-KTKRTIGZSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene (CID 18920859) is 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene is COC=C1CCC(c2cccc(F)c2F)CC1.
What is the InChIKey of 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene?
The InChIKey is ULXSDBBZMOPWAR-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H16F2O/c1-17-9-10-5-7-11(8-6-10)12-3-2-4-13(15)14(12)16/h2-4,9,11H,5-8H2,1H3/b10-9-.
What are the key properties of 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene?
1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene has a molecular weight of 238.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[4-(methoxymethylidene)cyclohexyl]benzene is sourced from PubChem (CID 18920859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).