4-cyclopropyl-1,2-difluorobenzene;ethyl formate

C12H14F2O2 — CID 145194546

IUPAC4-cyclopropyl-1,2-difluorobenzene;ethyl formate
SMILESCCOC=O.Fc1ccc(C2CC2)cc1F
InChIInChI=1S/C9H8F2.C3H6O2/c10-8-4-3-7(5-9(8)11)6-1-2-6;1-2-5-3-4/h3-6H,1-2H2;3H,2H2,1H3
InChIKeyRKXRJNLUKNPGQP-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.02
Rot. Bonds3

About 4-cyclopropyl-1,2-difluorobenzene;ethyl formate

4-cyclopropyl-1,2-difluorobenzene;ethyl formate (PubChem CID 145194546) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-cyclopropyl-1,2-difluorobenzene;ethyl formate.

Molecular Properties

Compound Name4-cyclopropyl-1,2-difluorobenzene;ethyl formate
PubChem CID145194546
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-cyclopropyl-1,2-difluorobenzene;ethyl formate
SMILESCCOC=O.Fc1ccc(C2CC2)cc1F
InChIInChI=1S/C9H8F2.C3H6O2/c10-8-4-3-7(5-9(8)11)6-1-2-6;1-2-5-3-4/h3-6H,1-2H2;3H,2H2,1H3
InChIKeyRKXRJNLUKNPGQP-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
CID 144902495
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
4-cyclopropyl-2-fluorobenzaldehyde;ethane
CID 177364762
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
[4-(3,4-difluorophenyl)cyclohexyl] pent-4-enoate
CID 139645779
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,2-difluorobenzene;ethyl formate?
The IUPAC name of 4-cyclopropyl-1,2-difluorobenzene;ethyl formate (CID 145194546) is 4-cyclopropyl-1,2-difluorobenzene;ethyl formate.
What is the SMILES notation for 4-cyclopropyl-1,2-difluorobenzene;ethyl formate?
The canonical SMILES for 4-cyclopropyl-1,2-difluorobenzene;ethyl formate is CCOC=O.Fc1ccc(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-1,2-difluorobenzene;ethyl formate?
The InChIKey is RKXRJNLUKNPGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2.C3H6O2/c10-8-4-3-7(5-9(8)11)6-1-2-6;1-2-5-3-4/h3-6H,1-2H2;3H,2H2,1H3.
What are the key properties of 4-cyclopropyl-1,2-difluorobenzene;ethyl formate?
4-cyclopropyl-1,2-difluorobenzene;ethyl formate has a molecular weight of 228.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,2-difluorobenzene;ethyl formate is sourced from PubChem (CID 145194546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).