1-[fluoro(iodo)methyl]-1-methylcyclopropane

C5H8FI — CID 155330116

IUPAC1-[fluoro(iodo)methyl]-1-methylcyclopropane
SMILESCC1(C(F)I)CC1
InChIInChI=1S/C5H8FI/c1-5(2-3-5)4(6)7/h4H,2-3H2,1H3
InChIKeyPHXZROYZEXZXJD-UHFFFAOYSA-N
MW214.02 g/mol
LogP2.52
Rot. Bonds1

About 1-[fluoro(iodo)methyl]-1-methylcyclopropane

1-[fluoro(iodo)methyl]-1-methylcyclopropane (PubChem CID 155330116) has the molecular formula C5H8FI and a molecular weight of 214.02 g/mol. Its IUPAC name is 1-[fluoro(iodo)methyl]-1-methylcyclopropane.

Molecular Properties

Compound Name1-[fluoro(iodo)methyl]-1-methylcyclopropane
PubChem CID155330116
Molecular FormulaC5H8FI
Molecular Weight214.02 g/mol
Exact Mass213.97
IUPAC Name1-[fluoro(iodo)methyl]-1-methylcyclopropane
SMILESCC1(C(F)I)CC1
InChIInChI=1S/C5H8FI/c1-5(2-3-5)4(6)7/h4H,2-3H2,1H3
InChIKeyPHXZROYZEXZXJD-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethyl)-1-methylcyclopentane
CID 134531916
4-(difluoromethyl)-4-methyloxane
CID 67569542
(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
CID 125466550
N-[1-(1-methylcyclopropyl)ethyl]cyclopropanamine
CID 43363059
3-(difluoromethyl)-3-methyloxolane
CID 164918548
1-fluoro-1-methylcyclopropane
CID 18684623
3-(1-methylcyclopropyl)butan-2-ol
CID 67990896
1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane
CID 122462461
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
1-(1-methylcyclopropyl)ethane-1,2-diamine
CID 147768838
3-(difluoromethyl)-3-methylazepane
CID 105432135
3-fluoro-1-[1-(1-methylcyclopropyl)ethyl]azetidine
CID 131041661

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(iodo)methyl]-1-methylcyclopropane?
The IUPAC name of 1-[fluoro(iodo)methyl]-1-methylcyclopropane (CID 155330116) is 1-[fluoro(iodo)methyl]-1-methylcyclopropane.
What is the SMILES notation for 1-[fluoro(iodo)methyl]-1-methylcyclopropane?
The canonical SMILES for 1-[fluoro(iodo)methyl]-1-methylcyclopropane is CC1(C(F)I)CC1.
What is the InChIKey of 1-[fluoro(iodo)methyl]-1-methylcyclopropane?
The InChIKey is PHXZROYZEXZXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FI/c1-5(2-3-5)4(6)7/h4H,2-3H2,1H3.
What are the key properties of 1-[fluoro(iodo)methyl]-1-methylcyclopropane?
1-[fluoro(iodo)methyl]-1-methylcyclopropane has a molecular weight of 214.02 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(iodo)methyl]-1-methylcyclopropane is sourced from PubChem (CID 155330116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).