cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene

C11H13FO2 — CID 144506974

IUPACcyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
SMILESCc1cccc(F)c1.O=C(O)C1CC1
InChIInChI=1S/C7H7F.C4H6O2/c1-6-3-2-4-7(8)5-6;5-4(6)3-1-2-3/h2-5H,1H3;3H,1-2H2,(H,5,6)
InChIKeyTWMZCEJNFMFNTP-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.62
Rot. Bonds1

About cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene

cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene (PubChem CID 144506974) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
PubChem CID144506974
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Namecyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
SMILESCc1cccc(F)c1.O=C(O)C1CC1
InChIInChI=1S/C7H7F.C4H6O2/c1-6-3-2-4-7(8)5-6;5-4(6)3-1-2-3/h2-5H,1H3;3H,1-2H2,(H,5,6)
InChIKeyTWMZCEJNFMFNTP-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610
4-[2-(3-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722573
ethane;1-fluoro-3-methylbenzene
CID 123790085
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 74868259

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene?
The IUPAC name of cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene (CID 144506974) is cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene.
What is the SMILES notation for cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene?
The canonical SMILES for cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene is Cc1cccc(F)c1.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene?
The InChIKey is TWMZCEJNFMFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C4H6O2/c1-6-3-2-4-7(8)5-6;5-4(6)3-1-2-3/h2-5H,1H3;3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene?
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene has a molecular weight of 196.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene is sourced from PubChem (CID 144506974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).