1-fluoro-3-(1-methylcyclopropyl)benzene

C10H11F — CID 90779989

IUPAC1-fluoro-3-(1-methylcyclopropyl)benzene
SMILESCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C10H11F/c1-10(5-6-10)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3
InChIKeyZMMSGTJLDNXULJ-UHFFFAOYSA-N
MW150.20 g/mol
LogP2.88
Rot. Bonds1

About 1-fluoro-3-(1-methylcyclopropyl)benzene

1-fluoro-3-(1-methylcyclopropyl)benzene (PubChem CID 90779989) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-fluoro-3-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(1-methylcyclopropyl)benzene
PubChem CID90779989
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name1-fluoro-3-(1-methylcyclopropyl)benzene
SMILESCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C10H11F/c1-10(5-6-10)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3
InChIKeyZMMSGTJLDNXULJ-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
Isobutylbenzene
CID 10870
Sec-Butylbenzene
CID 8680
Hexylbenzene
CID 14109
p-Fluorotoluene
CID 9603

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1-methylcyclopropyl)benzene?
The IUPAC name of 1-fluoro-3-(1-methylcyclopropyl)benzene (CID 90779989) is 1-fluoro-3-(1-methylcyclopropyl)benzene.
What is the SMILES notation for 1-fluoro-3-(1-methylcyclopropyl)benzene?
The canonical SMILES for 1-fluoro-3-(1-methylcyclopropyl)benzene is CC1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-fluoro-3-(1-methylcyclopropyl)benzene?
The InChIKey is ZMMSGTJLDNXULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F/c1-10(5-6-10)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-fluoro-3-(1-methylcyclopropyl)benzene?
1-fluoro-3-(1-methylcyclopropyl)benzene has a molecular weight of 150.20 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 90779989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).