4-cyclopropyl-2-fluorobenzaldehyde;ethane

C12H15FO — CID 177364762

IUPAC4-cyclopropyl-2-fluorobenzaldehyde;ethane
SMILESCC.O=Cc1ccc(C2CC2)cc1F
InChIInChI=1S/C10H9FO.C2H6/c11-10-5-8(7-1-2-7)3-4-9(10)6-12;1-2/h3-7H,1-2H2;1-2H3
InChIKeyLURLUQOAGYREKY-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.54
Rot. Bonds2

About 4-cyclopropyl-2-fluorobenzaldehyde;ethane

4-cyclopropyl-2-fluorobenzaldehyde;ethane (PubChem CID 177364762) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluorobenzaldehyde;ethane.

Molecular Properties

Compound Name4-cyclopropyl-2-fluorobenzaldehyde;ethane
PubChem CID177364762
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name4-cyclopropyl-2-fluorobenzaldehyde;ethane
SMILESCC.O=Cc1ccc(C2CC2)cc1F
InChIInChI=1S/C10H9FO.C2H6/c11-10-5-8(7-1-2-7)3-4-9(10)6-12;1-2/h3-7H,1-2H2;1-2H3
InChIKeyLURLUQOAGYREKY-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.54
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

2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
CID 175797855
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
4-cyclopropyl-2,6-difluorobenzaldehyde
CID 163302596
4-cyclopropyl-1,2-difluorobenzene;ethyl formate
CID 145194546
2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene
CID 67859215
4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
CID 19842847
4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
CID 168922268
2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde
CID 130417270
4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
CID 144902495
1-[4-(4-ethenyl-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 88997617
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluorobenzaldehyde;ethane?
The IUPAC name of 4-cyclopropyl-2-fluorobenzaldehyde;ethane (CID 177364762) is 4-cyclopropyl-2-fluorobenzaldehyde;ethane.
What is the SMILES notation for 4-cyclopropyl-2-fluorobenzaldehyde;ethane?
The canonical SMILES for 4-cyclopropyl-2-fluorobenzaldehyde;ethane is CC.O=Cc1ccc(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-2-fluorobenzaldehyde;ethane?
The InChIKey is LURLUQOAGYREKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO.C2H6/c11-10-5-8(7-1-2-7)3-4-9(10)6-12;1-2/h3-7H,1-2H2;1-2H3.
What are the key properties of 4-cyclopropyl-2-fluorobenzaldehyde;ethane?
4-cyclopropyl-2-fluorobenzaldehyde;ethane has a molecular weight of 194.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluorobenzaldehyde;ethane is sourced from PubChem (CID 177364762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).