1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene

C10H15F3 — CID 143606046

IUPAC1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene
SMILESCC1=C(CCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3/c1-8-4-2-3-5-9(8)6-7-10(11,12)13/h2-7H2,1H3
InChIKeyKZPDVJJZJQQQPC-UHFFFAOYSA-N
MW192.22 g/mol
LogP4.22
Rot. Bonds2

About 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene

1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene (PubChem CID 143606046) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene.

Molecular Properties

Compound Name1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene
PubChem CID143606046
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene
SMILESCC1=C(CCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3/c1-8-4-2-3-5-9(8)6-7-10(11,12)13/h2-7H2,1H3
InChIKeyKZPDVJJZJQQQPC-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene?
The IUPAC name of 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene (CID 143606046) is 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene.
What is the SMILES notation for 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene?
The canonical SMILES for 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene is CC1=C(CCC(F)(F)F)CCCC1.
What is the InChIKey of 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene?
The InChIKey is KZPDVJJZJQQQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-8-4-2-3-5-9(8)6-7-10(11,12)13/h2-7H2,1H3.
What are the key properties of 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene?
1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene has a molecular weight of 192.22 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,3,3-trifluoropropyl)cyclohexene is sourced from PubChem (CID 143606046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).