1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene

C12H13ClF2O — CID 177001288

IUPAC1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene
SMILESCCc1cc(Cl)c(OC(F)F)cc1C1CC1
InChIInChI=1S/C12H13ClF2O/c1-2-7-5-10(13)11(16-12(14)15)6-9(7)8-3-4-8/h5-6,8,12H,2-4H2,1H3
InChIKeyJICJNNNAQLFJKF-UHFFFAOYSA-N
MW246.68 g/mol
LogP4.38
Rot. Bonds4

About 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene

1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene (PubChem CID 177001288) has the molecular formula C12H13ClF2O and a molecular weight of 246.68 g/mol. Its IUPAC name is 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene.

Molecular Properties

Compound Name1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene
PubChem CID177001288
Molecular FormulaC12H13ClF2O
Molecular Weight246.68 g/mol
Exact Mass246.06
IUPAC Name1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene
SMILESCCc1cc(Cl)c(OC(F)F)cc1C1CC1
InChIInChI=1S/C12H13ClF2O/c1-2-7-5-10(13)11(16-12(14)15)6-9(7)8-3-4-8/h5-6,8,12H,2-4H2,1H3
InChIKeyJICJNNNAQLFJKF-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene?
The IUPAC name of 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene (CID 177001288) is 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene.
What is the SMILES notation for 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene?
The canonical SMILES for 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene is CCc1cc(Cl)c(OC(F)F)cc1C1CC1.
What is the InChIKey of 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene?
The InChIKey is JICJNNNAQLFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2O/c1-2-7-5-10(13)11(16-12(14)15)6-9(7)8-3-4-8/h5-6,8,12H,2-4H2,1H3.
What are the key properties of 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene?
1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene has a molecular weight of 246.68 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene is sourced from PubChem (CID 177001288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).