cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane

C11H19FO — CID 156509208

IUPACcis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane
SMILESCO[C@H]1CCC[C@@H](/C=C(\C)CF)C1
InChIInChI=1S/C11H19FO/c1-9(8-12)6-10-4-3-5-11(7-10)13-2/h6,10-11H,3-5,7-8H2,1-2H3/b9-6+/t10-,11-/m0/s1
InChIKeyQNLOGQVTHWBDFN-PRZVWEGYSA-N
MW186.27 g/mol
LogP3.11
Rot. Bonds3

About cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane

cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane (PubChem CID 156509208) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane
PubChem CID156509208
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Namecis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane
SMILESCO[C@H]1CCC[C@@H](/C=C(\C)CF)C1
InChIInChI=1S/C11H19FO/c1-9(8-12)6-10-4-3-5-11(7-10)13-2/h6,10-11H,3-5,7-8H2,1-2H3/b9-6+/t10-,11-/m0/s1
InChIKeyQNLOGQVTHWBDFN-PRZVWEGYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.11
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 cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane?
The IUPAC name of cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane (CID 156509208) is cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane.
What is the SMILES notation for cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane?
The canonical SMILES for cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane is CO[C@H]1CCC[C@@H](/C=C(\C)CF)C1.
What is the InChIKey of cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane?
The InChIKey is QNLOGQVTHWBDFN-PRZVWEGYSA-N. The full InChI is InChI=1S/C11H19FO/c1-9(8-12)6-10-4-3-5-11(7-10)13-2/h6,10-11H,3-5,7-8H2,1-2H3/b9-6+/t10-,11-/m0/s1.
What are the key properties of cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane?
cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane has a molecular weight of 186.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane is sourced from PubChem (CID 156509208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).