1-butyl-4-ethyl-2,3-difluorobenzene

C12H16F2 — CID 139904703

IUPAC1-butyl-4-ethyl-2,3-difluorobenzene
SMILESCCCCc1ccc(CC)c(F)c1F
InChIInChI=1S/C12H16F2/c1-3-5-6-10-8-7-9(4-2)11(13)12(10)14/h7-8H,3-6H2,1-2H3
InChIKeyYSEKFGRMFKWSDJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.87
Rot. Bonds4

About 1-butyl-4-ethyl-2,3-difluorobenzene

1-butyl-4-ethyl-2,3-difluorobenzene (PubChem CID 139904703) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-butyl-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-butyl-4-ethyl-2,3-difluorobenzene
PubChem CID139904703
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name1-butyl-4-ethyl-2,3-difluorobenzene
SMILESCCCCc1ccc(CC)c(F)c1F
InChIInChI=1S/C12H16F2/c1-3-5-6-10-8-7-9(4-2)11(13)12(10)14/h7-8H,3-6H2,1-2H3
InChIKeyYSEKFGRMFKWSDJ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine
CID 130243080
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
2,3-difluoro-1-hexyl-4-iodobenzene
CID 19911038
2,3-difluoro-4-heptylbenzaldehyde;2,3-difluoro-4-pentylbenzaldehyde;2,3-difluoro-4-propylbenzaldehyde;4-ethyl-2,3-difluorobenzaldehyde
CID 159912257
1-butyl-4-[4-[(E)-2-(4-ethyl-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 88997553
3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
CID 139960469
2,3-difluoro-4-pentylbenzoic acid
CID 19103630
2,3-difluoro-4-hexylphenol
CID 19910978
1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
CID 166651415
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
3-butyl-1,2,8-trifluoro-7-pentylbiphenylene
CID 134464976
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-butyl-4-ethyl-2,3-difluorobenzene (CID 139904703) is 1-butyl-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-butyl-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-butyl-4-ethyl-2,3-difluorobenzene is CCCCc1ccc(CC)c(F)c1F.
What is the InChIKey of 1-butyl-4-ethyl-2,3-difluorobenzene?
The InChIKey is YSEKFGRMFKWSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2/c1-3-5-6-10-8-7-9(4-2)11(13)12(10)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-butyl-4-ethyl-2,3-difluorobenzene?
1-butyl-4-ethyl-2,3-difluorobenzene has a molecular weight of 198.26 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 139904703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).