2,4-diethyl-1-fluorobenzene;ethane

C12H19F — CID 143588111

IUPAC2,4-diethyl-1-fluorobenzene;ethane
SMILESCC.CCc1ccc(F)c(CC)c1
InChIInChI=1S/C10H13F.C2H6/c1-3-8-5-6-10(11)9(4-2)7-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyFQEBAWCIGSHRSH-UHFFFAOYSA-N
MW182.28 g/mol
LogP3.98
Rot. Bonds2

About 2,4-diethyl-1-fluorobenzene;ethane

2,4-diethyl-1-fluorobenzene;ethane (PubChem CID 143588111) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is 2,4-diethyl-1-fluorobenzene;ethane.

Molecular Properties

Compound Name2,4-diethyl-1-fluorobenzene;ethane
PubChem CID143588111
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Name2,4-diethyl-1-fluorobenzene;ethane
SMILESCC.CCc1ccc(F)c(CC)c1
InChIInChI=1S/C10H13F.C2H6/c1-3-8-5-6-10(11)9(4-2)7-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyFQEBAWCIGSHRSH-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
1-bromo-3-(5-ethyl-2-fluorophenyl)propan-2-one
CID 134616896
(5-ethyl-2-fluorophenyl)methyl methanesulfonate
CID 130132959
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
2-ethyl-1,4-difluorobenzene
CID 23202513
5-(5-ethyl-2-fluorophenyl)pentanoic acid
CID 143472100
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
5-ethyl-2-fluoroaniline
CID 10630567
3-ethyl-4-fluorobenzenethiol
CID 91874078
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1-fluorobenzene;ethane?
The IUPAC name of 2,4-diethyl-1-fluorobenzene;ethane (CID 143588111) is 2,4-diethyl-1-fluorobenzene;ethane.
What is the SMILES notation for 2,4-diethyl-1-fluorobenzene;ethane?
The canonical SMILES for 2,4-diethyl-1-fluorobenzene;ethane is CC.CCc1ccc(F)c(CC)c1.
What is the InChIKey of 2,4-diethyl-1-fluorobenzene;ethane?
The InChIKey is FQEBAWCIGSHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C2H6/c1-3-8-5-6-10(11)9(4-2)7-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2,4-diethyl-1-fluorobenzene;ethane?
2,4-diethyl-1-fluorobenzene;ethane has a molecular weight of 182.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1-fluorobenzene;ethane is sourced from PubChem (CID 143588111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).