4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene

C14H16ClFO — CID 118904855

IUPAC4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene
SMILESC=C1CCC(OC)(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H16ClFO/c1-10-5-7-14(17-2,8-6-10)12-4-3-11(15)9-13(12)16/h3-4,9H,1,5-8H2,2H3
InChIKeyZIHHODDVMKOENC-UHFFFAOYSA-N
MW254.73 g/mol
LogP4.45
Rot. Bonds2

About 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene

4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene (PubChem CID 118904855) has the molecular formula C14H16ClFO and a molecular weight of 254.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene
PubChem CID118904855
Molecular FormulaC14H16ClFO
Molecular Weight254.73 g/mol
Exact Mass254.09
IUPAC Name4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene
SMILESC=C1CCC(OC)(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H16ClFO/c1-10-5-7-14(17-2,8-6-10)12-4-3-11(15)9-13(12)16/h3-4,9H,1,5-8H2,2H3
InChIKeyZIHHODDVMKOENC-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene?
The IUPAC name of 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene (CID 118904855) is 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene is C=C1CCC(OC)(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene?
The InChIKey is ZIHHODDVMKOENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO/c1-10-5-7-14(17-2,8-6-10)12-4-3-11(15)9-13(12)16/h3-4,9H,1,5-8H2,2H3.
What are the key properties of 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene?
4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene has a molecular weight of 254.73 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-(1-methoxy-4-methylidenecyclohexyl)benzene is sourced from PubChem (CID 118904855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).