ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate

C19H24F2O2 — CID 175990547

IUPACethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1c(C)cccc1C1CCC(F)(F)CC1
InChIInChI=1S/C19H24F2O2/c1-3-23-18(22)16-11-15(16)17-12(2)5-4-6-14(17)13-7-9-19(20,21)10-8-13/h4-6,13,15-16H,3,7-11H2,1-2H3
InChIKeyZFXKAEFRHYMAMY-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.95
Rot. Bonds4

About ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate

ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate (PubChem CID 175990547) has the molecular formula C19H24F2O2 and a molecular weight of 322.40 g/mol. Its IUPAC name is ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate
PubChem CID175990547
Molecular FormulaC19H24F2O2
Molecular Weight322.40 g/mol
Exact Mass322.17
IUPAC Nameethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1c(C)cccc1C1CCC(F)(F)CC1
InChIInChI=1S/C19H24F2O2/c1-3-23-18(22)16-11-15(16)17-12(2)5-4-6-14(17)13-7-9-19(20,21)10-8-13/h4-6,13,15-16H,3,7-11H2,1-2H3
InChIKeyZFXKAEFRHYMAMY-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate (CID 175990547) is ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1c(C)cccc1C1CCC(F)(F)CC1.
What is the InChIKey of ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate?
The InChIKey is ZFXKAEFRHYMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O2/c1-3-23-18(22)16-11-15(16)17-12(2)5-4-6-14(17)13-7-9-19(20,21)10-8-13/h4-6,13,15-16H,3,7-11H2,1-2H3.
What are the key properties of ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate?
ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate has a molecular weight of 322.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 175990547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).