ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate

C19H16ClF3N2O3 — CID 19086727

IUPACethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate
SMILESCCOC(=O)C(C)n1ncc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C19H16ClF3N2O3/c1-3-27-18(26)11(2)25-16-9-14(6-4-12(16)10-24-25)28-17-7-5-13(8-15(17)20)19(21,22)23/h4-11H,3H2,1-2H3
InChIKeyBTLZBQPSNLBKND-UHFFFAOYSA-N
MW412.80 g/mol
LogP5.62
Rot. Bonds5

About ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate

ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate (PubChem CID 19086727) has the molecular formula C19H16ClF3N2O3 and a molecular weight of 412.80 g/mol. Its IUPAC name is ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate
PubChem CID19086727
Molecular FormulaC19H16ClF3N2O3
Molecular Weight412.80 g/mol
Exact Mass412.08
IUPAC Nameethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate
SMILESCCOC(=O)C(C)n1ncc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C19H16ClF3N2O3/c1-3-27-18(26)11(2)25-16-9-14(6-4-12(16)10-24-25)28-17-7-5-13(8-15(17)20)19(21,22)23/h4-11H,3H2,1-2H3
InChIKeyBTLZBQPSNLBKND-UHFFFAOYSA-N
XLogP5.62
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.80
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxy-3-oxopentanoate
CID 70263202
2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
CID 54189653
ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[(E)-hydroxyiminomethyl]phenoxy]propanoate
CID 15022451
ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]butanoate
CID 57298368
2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 22693430
2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-4-ethoxy-3-methyl-4-oxobutanoic acid
CID 70381962
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[1-(2-ethoxy-2-oxoethyl)sulfanyl-1-oxopropan-2-yl]oxybenzoic acid
CID 14554246
ethyl (Z)-4-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-3-methoxypent-2-enoate
CID 13279410
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]pentanoic acid
CID 57146078
ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]-2-methylsulfinylacetate
CID 70577757
(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate;pyrazole-1-carboxamide
CID 118166522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate?
The IUPAC name of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate (CID 19086727) is ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate?
The canonical SMILES for ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate is CCOC(=O)C(C)n1ncc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21.
What is the InChIKey of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate?
The InChIKey is BTLZBQPSNLBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O3/c1-3-27-18(26)11(2)25-16-9-14(6-4-12(16)10-24-25)28-17-7-5-13(8-15(17)20)19(21,22)23/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate?
ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate has a molecular weight of 412.80 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]indazol-1-yl]propanoate is sourced from PubChem (CID 19086727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).