3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde

C12H13FO — CID 105446064

IUPAC3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde
SMILESCc1cccc(C2(C=O)CC(F)C2)c1
InChIInChI=1S/C12H13FO/c1-9-3-2-4-10(5-9)12(8-14)6-11(13)7-12/h2-5,8,11H,6-7H2,1H3
InChIKeyIPZBUZPANUMFJU-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.56
Rot. Bonds2

About 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde

3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde (PubChem CID 105446064) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde
PubChem CID105446064
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde
SMILESCc1cccc(C2(C=O)CC(F)C2)c1
InChIInChI=1S/C12H13FO/c1-9-3-2-4-10(5-9)12(8-14)6-11(13)7-12/h2-5,8,11H,6-7H2,1H3
InChIKeyIPZBUZPANUMFJU-UHFFFAOYSA-N
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037542
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone
CID 131000877
6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde
CID 87817177
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine
CID 82405285
[3-ethyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 65000759
3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037533

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde (CID 105446064) is 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde is Cc1cccc(C2(C=O)CC(F)C2)c1.
What is the InChIKey of 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde?
The InChIKey is IPZBUZPANUMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-9-3-2-4-10(5-9)12(8-14)6-11(13)7-12/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde?
3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde has a molecular weight of 192.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 105446064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).