1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane

C6H7F5 — CID 19768866

IUPAC1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane
SMILESCC1CC1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5/c1-3-2-4(3)5(7,8)6(9,10)11/h3-4H,2H2,1H3
InChIKeyQQCSAAOCQYJUCZ-UHFFFAOYSA-N
MW174.11 g/mol
LogP2.84
Rot. Bonds1

About 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane

1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane (PubChem CID 19768866) has the molecular formula C6H7F5 and a molecular weight of 174.11 g/mol. Its IUPAC name is 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane
PubChem CID19768866
Molecular FormulaC6H7F5
Molecular Weight174.11 g/mol
Exact Mass174.05
IUPAC Name1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane
SMILESCC1CC1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5/c1-3-2-4(3)5(7,8)6(9,10)11/h3-4H,2H2,1H3
InChIKeyQQCSAAOCQYJUCZ-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane?
The IUPAC name of 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane (CID 19768866) is 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane?
The canonical SMILES for 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane is CC1CC1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane?
The InChIKey is QQCSAAOCQYJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5/c1-3-2-4(3)5(7,8)6(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane?
1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane has a molecular weight of 174.11 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane is sourced from PubChem (CID 19768866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).