1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane

C16H27FO — CID 19798868

IUPAC1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(/C=C/F)CC2)CC1
InChIInChI=1S/C16H27FO/c1-18-12-14-4-8-16(9-5-14)15-6-2-13(3-7-15)10-11-17/h10-11,13-16H,2-9,12H2,1H3/b11-10+
InChIKeyPQOAUOAHHFDZHL-ZHACJKMWSA-N
MW254.39 g/mol
LogP4.73
Rot. Bonds4

About 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane

1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (PubChem CID 19798868) has the molecular formula C16H27FO and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
PubChem CID19798868
Molecular FormulaC16H27FO
Molecular Weight254.39 g/mol
Exact Mass254.20
IUPAC Name1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(/C=C/F)CC2)CC1
InChIInChI=1S/C16H27FO/c1-18-12-14-4-8-16(9-5-14)15-6-2-13(3-7-15)10-11-17/h10-11,13-16H,2-9,12H2,1H3/b11-10+
InChIKeyPQOAUOAHHFDZHL-ZHACJKMWSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (CID 19798868) is 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane is COCC1CCC(C2CCC(/C=C/F)CC2)CC1.
What is the InChIKey of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is PQOAUOAHHFDZHL-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H27FO/c1-18-12-14-4-8-16(9-5-14)15-6-2-13(3-7-15)10-11-17/h10-11,13-16H,2-9,12H2,1H3/b11-10+.
What are the key properties of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 254.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19798868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).