1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane

C10H14F4O — CID 117946200

IUPAC1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane
SMILESCOC1CCC(CC1)/C(=C/C(F)(F)F)/F
InChIInChI=1S/C10H14F4O/c1-15-8-4-2-7(3-5-8)9(11)6-10(12,13)14/h6-8H,2-5H2,1H3/b9-6-
InChIKeyKMAYJQOSTLMFSO-TWGQIWQCSA-N
MW226.21 g/mol
LogP2.90
Rot. Bonds2

About 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane

1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane (PubChem CID 117946200) has the molecular formula C10H14F4O and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane
PubChem CID117946200
Molecular FormulaC10H14F4O
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane
SMILESCOC1CCC(CC1)/C(=C/C(F)(F)F)/F
InChIInChI=1S/C10H14F4O/c1-15-8-4-2-7(3-5-8)9(11)6-10(12,13)14/h6-8H,2-5H2,1H3/b9-6-
InChIKeyKMAYJQOSTLMFSO-TWGQIWQCSA-N
XLogP2.90
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity226

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane?
The IUPAC name of 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane (CID 117946200) is 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane?
The canonical SMILES for 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane is COC1CCC(CC1)/C(=C/C(F)(F)F)/F.
What is the InChIKey of 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane?
The InChIKey is KMAYJQOSTLMFSO-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H14F4O/c1-15-8-4-2-7(3-5-8)9(11)6-10(12,13)14/h6-8H,2-5H2,1H3/b9-6-.
What are the key properties of 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane?
1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane has a molecular weight of 226.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 117946200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).