1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene

C10H13F3O — CID 10632079

IUPAC1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene
SMILESCO/C(=C/C(F)(F)F)C1=CCCCC1
InChIInChI=1S/C10H13F3O/c1-14-9(7-10(11,12)13)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3/b9-7+
InChIKeyXIMXCVBQYSCOBH-VQHVLOKHSA-N
MW206.21 g/mol
LogP3.58
Rot. Bonds2

About 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene

1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene (PubChem CID 10632079) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene.

Molecular Properties

Compound Name1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene
PubChem CID10632079
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene
SMILESCO/C(=C/C(F)(F)F)C1=CCCCC1
InChIInChI=1S/C10H13F3O/c1-14-9(7-10(11,12)13)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3/b9-7+
InChIKeyXIMXCVBQYSCOBH-VQHVLOKHSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene?
The IUPAC name of 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene (CID 10632079) is 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene.
What is the SMILES notation for 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene?
The canonical SMILES for 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene is CO/C(=C/C(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene?
The InChIKey is XIMXCVBQYSCOBH-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H13F3O/c1-14-9(7-10(11,12)13)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3/b9-7+.
What are the key properties of 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene?
1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene has a molecular weight of 206.21 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]cyclohexene is sourced from PubChem (CID 10632079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).