ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate

C19H23F2NO4 — CID 169091022

IUPACethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
SMILESCCOC(=O)CC(C#N)CCc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C19H23F2NO4/c1-2-24-18(23)10-15(11-22)6-3-13-7-8-16(26-19(20)21)17(9-13)25-12-14-4-5-14/h7-9,14-15,19H,2-6,10,12H2,1H3
InChIKeyBJQBEKNUCLBMAV-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.10
Rot. Bonds11

About ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate

ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate (PubChem CID 169091022) has the molecular formula C19H23F2NO4 and a molecular weight of 367.39 g/mol. Its IUPAC name is ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate.

Molecular Properties

Compound Nameethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
PubChem CID169091022
Molecular FormulaC19H23F2NO4
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Nameethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
SMILESCCOC(=O)CC(C#N)CCc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C19H23F2NO4/c1-2-24-18(23)10-15(11-22)6-3-13-7-8-16(26-19(20)21)17(9-13)25-12-14-4-5-14/h7-9,14-15,19H,2-6,10,12H2,1H3
InChIKeyBJQBEKNUCLBMAV-UHFFFAOYSA-N
XLogP4.10
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate
CID 89485014
methyl 2-[[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]amino]-2-oxoacetate
CID 54502547
dimethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]heptanedioate
CID 18973702
N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide
CID 54255513
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
CID 174834345
4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
CID 169091004
ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate
CID 166521132
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
ethyl 3-[4-(difluoromethoxy)-3-hydroxyphenyl]propanoate
CID 134632626
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501
ethyl 3-[3-(difluoromethoxy)-4-fluorophenyl]propanoate
CID 134632500
ethyl 3-[3-bromo-4-(cyclopentylmethoxy)phenyl]propanoate
CID 22559143

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate?
The IUPAC name of ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate (CID 169091022) is ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate.
What is the SMILES notation for ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate?
The canonical SMILES for ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate is CCOC(=O)CC(C#N)CCc1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate?
The InChIKey is BJQBEKNUCLBMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO4/c1-2-24-18(23)10-15(11-22)6-3-13-7-8-16(26-19(20)21)17(9-13)25-12-14-4-5-14/h7-9,14-15,19H,2-6,10,12H2,1H3.
What are the key properties of ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate?
ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate has a molecular weight of 367.39 g/mol, XLogP of 4.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate is sourced from PubChem (CID 169091022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).