1-chloro-1-fluoro-2-propan-2-ylcyclopropane

C6H10ClF — CID 58422613

IUPAC1-chloro-1-fluoro-2-propan-2-ylcyclopropane
SMILESCC(C)C1CC1(F)Cl
InChIInChI=1S/C6H10ClF/c1-4(2)5-3-6(5,7)8/h4-5H,3H2,1-2H3
InChIKeyWQUXOQCMIWEJKM-UHFFFAOYSA-N
MW136.60 g/mol
LogP2.57
Rot. Bonds1

About 1-chloro-1-fluoro-2-propan-2-ylcyclopropane

1-chloro-1-fluoro-2-propan-2-ylcyclopropane (PubChem CID 58422613) has the molecular formula C6H10ClF and a molecular weight of 136.60 g/mol. Its IUPAC name is 1-chloro-1-fluoro-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-chloro-1-fluoro-2-propan-2-ylcyclopropane
PubChem CID58422613
Molecular FormulaC6H10ClF
Molecular Weight136.60 g/mol
Exact Mass136.05
IUPAC Name1-chloro-1-fluoro-2-propan-2-ylcyclopropane
SMILESCC(C)C1CC1(F)Cl
InChIInChI=1S/C6H10ClF/c1-4(2)5-3-6(5,7)8/h4-5H,3H2,1-2H3
InChIKeyWQUXOQCMIWEJKM-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-fluoro-2-propan-2-ylcyclopropane?
The IUPAC name of 1-chloro-1-fluoro-2-propan-2-ylcyclopropane (CID 58422613) is 1-chloro-1-fluoro-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-chloro-1-fluoro-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-chloro-1-fluoro-2-propan-2-ylcyclopropane is CC(C)C1CC1(F)Cl.
What is the InChIKey of 1-chloro-1-fluoro-2-propan-2-ylcyclopropane?
The InChIKey is WQUXOQCMIWEJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF/c1-4(2)5-3-6(5,7)8/h4-5H,3H2,1-2H3.
What are the key properties of 1-chloro-1-fluoro-2-propan-2-ylcyclopropane?
1-chloro-1-fluoro-2-propan-2-ylcyclopropane has a molecular weight of 136.60 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-fluoro-2-propan-2-ylcyclopropane is sourced from PubChem (CID 58422613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).