2-cyclopropyl-5-ethyl-1,3-difluorobenzene

C11H12F2 — CID 171097226

IUPAC2-cyclopropyl-5-ethyl-1,3-difluorobenzene
SMILESCCc1cc(F)c(C2CC2)c(F)c1
InChIInChI=1S/C11H12F2/c1-2-7-5-9(12)11(8-3-4-8)10(13)6-7/h5-6,8H,2-4H2,1H3
InChIKeyFZKMISUPNGADIL-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.40
Rot. Bonds2

About 2-cyclopropyl-5-ethyl-1,3-difluorobenzene

2-cyclopropyl-5-ethyl-1,3-difluorobenzene (PubChem CID 171097226) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-1,3-difluorobenzene.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-1,3-difluorobenzene
PubChem CID171097226
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name2-cyclopropyl-5-ethyl-1,3-difluorobenzene
SMILESCCc1cc(F)c(C2CC2)c(F)c1
InChIInChI=1S/C11H12F2/c1-2-7-5-9(12)11(8-3-4-8)10(13)6-7/h5-6,8H,2-4H2,1H3
InChIKeyFZKMISUPNGADIL-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
CID 139846563
2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852466
4-cyclopropyl-3,5-difluorobenzonitrile
CID 118879698
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
4-(4-ethyl-2-fluorophenyl)oxane
CID 149055517
2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
CID 167219024
4-ethyl-2,6-difluorobenzaldehyde
CID 88881021
(4-ethyl-2,6-difluorophenyl)boronic acid
CID 135395616
6-[2-[4-(2,6-difluoro-4-hexylphenyl)cyclohexyl]ethynyl]-1,2,3,8-tetrafluoronaphthalene
CID 139847124
1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine
CID 139566322
methyl 4-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3,5-difluorobenzoate
CID 139865406

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-1,3-difluorobenzene?
The IUPAC name of 2-cyclopropyl-5-ethyl-1,3-difluorobenzene (CID 171097226) is 2-cyclopropyl-5-ethyl-1,3-difluorobenzene.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-1,3-difluorobenzene?
The canonical SMILES for 2-cyclopropyl-5-ethyl-1,3-difluorobenzene is CCc1cc(F)c(C2CC2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-5-ethyl-1,3-difluorobenzene?
The InChIKey is FZKMISUPNGADIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-2-7-5-9(12)11(8-3-4-8)10(13)6-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-5-ethyl-1,3-difluorobenzene?
2-cyclopropyl-5-ethyl-1,3-difluorobenzene has a molecular weight of 182.21 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-1,3-difluorobenzene is sourced from PubChem (CID 171097226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).