difluoromethylbenzene;ethylcyclopropane

C12H16F2 — CID 157034020

IUPACdifluoromethylbenzene;ethylcyclopropane
SMILESCCC1CC1.FC(F)c1ccccc1
InChIInChI=1S/C7H6F2.C5H10/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-5/h1-5,7H;5H,2-4H2,1H3
InChIKeyIGIPUXIJPYTKHQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP4.43
Rot. Bonds2

About difluoromethylbenzene;ethylcyclopropane

difluoromethylbenzene;ethylcyclopropane (PubChem CID 157034020) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is difluoromethylbenzene;ethylcyclopropane.

Molecular Properties

Compound Namedifluoromethylbenzene;ethylcyclopropane
PubChem CID157034020
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Namedifluoromethylbenzene;ethylcyclopropane
SMILESCCC1CC1.FC(F)c1ccccc1
InChIInChI=1S/C7H6F2.C5H10/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-5/h1-5,7H;5H,2-4H2,1H3
InChIKeyIGIPUXIJPYTKHQ-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
[fluoro(fluoro)methyl]benzene
CID 146164458
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62413207
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 23381484
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968
phenyl 4-ethylcyclohexane-1-carboxylate
CID 53401345

Frequently Asked Questions

What is the IUPAC name of difluoromethylbenzene;ethylcyclopropane?
The IUPAC name of difluoromethylbenzene;ethylcyclopropane (CID 157034020) is difluoromethylbenzene;ethylcyclopropane.
What is the SMILES notation for difluoromethylbenzene;ethylcyclopropane?
The canonical SMILES for difluoromethylbenzene;ethylcyclopropane is CCC1CC1.FC(F)c1ccccc1.
What is the InChIKey of difluoromethylbenzene;ethylcyclopropane?
The InChIKey is IGIPUXIJPYTKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C5H10/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-5/h1-5,7H;5H,2-4H2,1H3.
What are the key properties of difluoromethylbenzene;ethylcyclopropane?
difluoromethylbenzene;ethylcyclopropane has a molecular weight of 198.26 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylbenzene;ethylcyclopropane is sourced from PubChem (CID 157034020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).