1-(2,2-difluoroethyl)-3-ethylbenzene;propane

C13H20F2 — CID 143740703

IUPAC1-(2,2-difluoroethyl)-3-ethylbenzene;propane
SMILESCCC.CCc1cccc(CC(F)F)c1
InChIInChI=1S/C10H12F2.C3H8/c1-2-8-4-3-5-9(6-8)7-10(11)12;1-3-2/h3-6,10H,2,7H2,1H3;3H2,1-2H3
InChIKeyLMFASDDEYUNBFA-UHFFFAOYSA-N
MW214.30 g/mol
LogP4.47
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-ethylbenzene;propane

1-(2,2-difluoroethyl)-3-ethylbenzene;propane (PubChem CID 143740703) has the molecular formula C13H20F2 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethylbenzene;propane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethylbenzene;propane
PubChem CID143740703
Molecular FormulaC13H20F2
Molecular Weight214.30 g/mol
Exact Mass214.15
IUPAC Name1-(2,2-difluoroethyl)-3-ethylbenzene;propane
SMILESCCC.CCc1cccc(CC(F)F)c1
InChIInChI=1S/C10H12F2.C3H8/c1-2-8-4-3-5-9(6-8)7-10(11)12;1-3-2/h3-6,10H,2,7H2,1H3;3H2,1-2H3
InChIKeyLMFASDDEYUNBFA-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-ethylphenyl)butan-2-ol
CID 91658604
1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-(3-ethylphenyl)-3-methylbut-3-en-2-amine
CID 170419567
4-amino-1-(3-ethylphenyl)butan-2-ol
CID 70653486
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680241
(3S,4S)-3-[(3-ethylphenyl)methyl]-4-hydroxypentan-2-one
CID 146481380
2-[(3-ethylphenyl)methylamino]propane-1,3-diol
CID 71028738
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
ethyl 2-[3-(2,2-difluoroethyl)phenyl]-2-oxoacetate
CID 117357101

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethylbenzene;propane?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethylbenzene;propane (CID 143740703) is 1-(2,2-difluoroethyl)-3-ethylbenzene;propane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethylbenzene;propane?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethylbenzene;propane is CCC.CCc1cccc(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethylbenzene;propane?
The InChIKey is LMFASDDEYUNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2.C3H8/c1-2-8-4-3-5-9(6-8)7-10(11)12;1-3-2/h3-6,10H,2,7H2,1H3;3H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-ethylbenzene;propane?
1-(2,2-difluoroethyl)-3-ethylbenzene;propane has a molecular weight of 214.30 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-ethylbenzene;propane is sourced from PubChem (CID 143740703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).