2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene

C12H14F2 — CID 176962607

IUPAC2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene
SMILESCCC1(c2c(C)cc(F)cc2F)CC1
InChIInChI=1S/C12H14F2/c1-3-12(4-5-12)11-8(2)6-9(13)7-10(11)14/h6-7H,3-5H2,1-2H3
InChIKeyJKVOHBVJLLYPOH-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.71
Rot. Bonds2

About 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene

2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene (PubChem CID 176962607) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene.

Molecular Properties

Compound Name2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene
PubChem CID176962607
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene
SMILESCCC1(c2c(C)cc(F)cc2F)CC1
InChIInChI=1S/C12H14F2/c1-3-12(4-5-12)11-8(2)6-9(13)7-10(11)14/h6-7H,3-5H2,1-2H3
InChIKeyJKVOHBVJLLYPOH-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
2-ethyl-2-(2-fluoro-4,6-dimethylphenyl)pyrrolidine
CID 106881701
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
2,4,7-trifluoro-5-methylfluorene-9-thione
CID 19874672
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene
CID 176962469
1-(2,4,6-trifluorophenyl)cyclopentan-1-amine;hydrochloride
CID 117046880
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
4,6-difluoro-2,3,3-trimethylindole
CID 59422472
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene?
The IUPAC name of 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene (CID 176962607) is 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene.
What is the SMILES notation for 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene?
The canonical SMILES for 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene is CCC1(c2c(C)cc(F)cc2F)CC1.
What is the InChIKey of 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene?
The InChIKey is JKVOHBVJLLYPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-3-12(4-5-12)11-8(2)6-9(13)7-10(11)14/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene?
2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene has a molecular weight of 196.24 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene is sourced from PubChem (CID 176962607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).