4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene

C16H21FO2 — CID 172766932

IUPAC4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C(\F)C2CCCCC2)cc1OC
InChIInChI=1S/C16H21FO2/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3/b14-10-
InChIKeyMKYSRBSXGITPRF-UVTDQMKNSA-N
MW264.34 g/mol
LogP4.59
Rot. Bonds4

About 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene

4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene (PubChem CID 172766932) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene
PubChem CID172766932
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C(\F)C2CCCCC2)cc1OC
InChIInChI=1S/C16H21FO2/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3/b14-10-
InChIKeyMKYSRBSXGITPRF-UVTDQMKNSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene (CID 172766932) is 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene is COc1ccc(/C=C(\F)C2CCCCC2)cc1OC.
What is the InChIKey of 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene?
The InChIKey is MKYSRBSXGITPRF-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H21FO2/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3/b14-10-.
What are the key properties of 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene?
4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene has a molecular weight of 264.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 172766932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).