5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene

C14H19FO — CID 70866784

IUPAC5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene
SMILESCOC=C1CCC(C2=CC=CC(F)C2)CC1
InChIInChI=1S/C14H19FO/c1-16-10-11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-4,10,12,14H,5-9H2,1H3/b11-10-
InChIKeyZJNVSJTYFABAIK-KHPPLWFESA-N
MW222.30 g/mol
LogP3.93
Rot. Bonds2

About 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene

5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene (PubChem CID 70866784) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene
PubChem CID70866784
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene
SMILESCOC=C1CCC(C2=CC=CC(F)C2)CC1
InChIInChI=1S/C14H19FO/c1-16-10-11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-4,10,12,14H,5-9H2,1H3/b11-10-
InChIKeyZJNVSJTYFABAIK-KHPPLWFESA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.93
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 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene (CID 70866784) is 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene is COC=C1CCC(C2=CC=CC(F)C2)CC1.
What is the InChIKey of 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is ZJNVSJTYFABAIK-KHPPLWFESA-N. The full InChI is InChI=1S/C14H19FO/c1-16-10-11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-4,10,12,14H,5-9H2,1H3/b11-10-.
What are the key properties of 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene?
5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 222.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene is sourced from PubChem (CID 70866784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).