1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane

C10H14F4O — CID 123145633

IUPAC1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
SMILESCOC1CCC(C(F)=CC(F)(F)F)CC1
InChIInChI=1S/C10H14F4O/c1-15-8-4-2-7(3-5-8)9(11)6-10(12,13)14/h6-8H,2-5H2,1H3
InChIKeyKMAYJQOSTLMFSO-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.61
Rot. Bonds2

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

1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane (PubChem CID 123145633) has the molecular formula C10H14F4O and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
PubChem CID123145633
Molecular FormulaC10H14F4O
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
SMILESCOC1CCC(C(F)=CC(F)(F)F)CC1
InChIInChI=1S/C10H14F4O/c1-15-8-4-2-7(3-5-8)9(11)6-10(12,13)14/h6-8H,2-5H2,1H3
InChIKeyKMAYJQOSTLMFSO-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
The IUPAC name of 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane (CID 123145633) is 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane.
What is the SMILES notation for 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
The canonical SMILES for 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane is COC1CCC(C(F)=CC(F)(F)F)CC1.
What is the InChIKey of 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
The InChIKey is KMAYJQOSTLMFSO-UHFFFAOYSA-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.
What are the key properties of 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane has a molecular weight of 226.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane is sourced from PubChem (CID 123145633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).