ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate

C18H26FNO3 — CID 142471167

IUPACethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate
SMILESCCOC(=O)C(CC)C1CCC(c2ccnc(OC)c2F)CC1
InChIInChI=1S/C18H26FNO3/c1-4-14(18(21)23-5-2)12-6-8-13(9-7-12)15-10-11-20-17(22-3)16(15)19/h10-14H,4-9H2,1-3H3
InChIKeyUGBDRUINCVXUJB-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.09
Rot. Bonds6

About ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate

ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate (PubChem CID 142471167) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate
PubChem CID142471167
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nameethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate
SMILESCCOC(=O)C(CC)C1CCC(c2ccnc(OC)c2F)CC1
InChIInChI=1S/C18H26FNO3/c1-4-14(18(21)23-5-2)12-6-8-13(9-7-12)15-10-11-20-17(22-3)16(15)19/h10-14H,4-9H2,1-3H3
InChIKeyUGBDRUINCVXUJB-UHFFFAOYSA-N
XLogP4.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate?
The IUPAC name of ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate (CID 142471167) is ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate.
What is the SMILES notation for ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate?
The canonical SMILES for ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate is CCOC(=O)C(CC)C1CCC(c2ccnc(OC)c2F)CC1.
What is the InChIKey of ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate?
The InChIKey is UGBDRUINCVXUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-4-14(18(21)23-5-2)12-6-8-13(9-7-12)15-10-11-20-17(22-3)16(15)19/h10-14H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate?
ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate has a molecular weight of 323.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate is sourced from PubChem (CID 142471167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).