1-(chloromethyl)-1-(fluoromethyl)cyclopropane

C5H8ClF — CID 22602666

IUPAC1-(chloromethyl)-1-(fluoromethyl)cyclopropane
SMILESFCC1(CCl)CC1
InChIInChI=1S/C5H8ClF/c6-3-5(4-7)1-2-5/h1-4H2
InChIKeyOYNVCDJHADLRFJ-UHFFFAOYSA-N
MW122.57 g/mol
LogP1.97
Rot. Bonds2

About 1-(chloromethyl)-1-(fluoromethyl)cyclopropane

1-(chloromethyl)-1-(fluoromethyl)cyclopropane (PubChem CID 22602666) has the molecular formula C5H8ClF and a molecular weight of 122.57 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(fluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(fluoromethyl)cyclopropane
PubChem CID22602666
Molecular FormulaC5H8ClF
Molecular Weight122.57 g/mol
Exact Mass122.03
IUPAC Name1-(chloromethyl)-1-(fluoromethyl)cyclopropane
SMILESFCC1(CCl)CC1
InChIInChI=1S/C5H8ClF/c6-3-5(4-7)1-2-5/h1-4H2
InChIKeyOYNVCDJHADLRFJ-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.57
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-1-fluoro-2,2-dimethylcyclopropane
CID 267300
1-Chloro-2-(chloromethyl)-1-fluoro-2-methylcyclopropane
CID 12585991
1-Dimethyl-2-chlorocyclopropane
CID 13333446
1,1-Bis-chloromethyl-cyclopropane
CID 55302935
(2-Chloro-1-fluoroethyl)cyclopropane
CID 17958127
1,1-Bis(chloromethyl)-2-fluorocyclopropane
CID 121514142
(2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane
CID 125117297
(2R)-1,1-bis(chloromethyl)-2-fluorocyclopropane
CID 125117298
1-(Chloromethyl)-1-(trifluoromethyl)cyclopropane
CID 129968443
1-(Chloromethyl)-1-fluorocyclopropane
CID 129968444
1-(Chloromethyl)-1-(difluoromethyl)cyclopropane
CID 164517247
1-(Chloromethyl)-1-methylcyclopropane
CID 12627050

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(fluoromethyl)cyclopropane?
The IUPAC name of 1-(chloromethyl)-1-(fluoromethyl)cyclopropane (CID 22602666) is 1-(chloromethyl)-1-(fluoromethyl)cyclopropane.
What is the SMILES notation for 1-(chloromethyl)-1-(fluoromethyl)cyclopropane?
The canonical SMILES for 1-(chloromethyl)-1-(fluoromethyl)cyclopropane is FCC1(CCl)CC1.
What is the InChIKey of 1-(chloromethyl)-1-(fluoromethyl)cyclopropane?
The InChIKey is OYNVCDJHADLRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF/c6-3-5(4-7)1-2-5/h1-4H2.
What are the key properties of 1-(chloromethyl)-1-(fluoromethyl)cyclopropane?
1-(chloromethyl)-1-(fluoromethyl)cyclopropane has a molecular weight of 122.57 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(fluoromethyl)cyclopropane is sourced from PubChem (CID 22602666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).