(2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

C15H12F3NO4 — CID 91342204

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESO=C(On1c(O)ccc1O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO4/c16-15(17,18)9-3-1-8(2-4-9)10-7-11(10)14(22)23-19-12(20)5-6-13(19)21/h1-6,10-11,20-21H,7H2
InChIKeyCEWWKYQNUFHWDM-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.68
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

(2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 91342204) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
PubChem CID91342204
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESO=C(On1c(O)ccc1O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO4/c16-15(17,18)9-3-1-8(2-4-9)10-7-11(10)14(22)23-19-12(20)5-6-13(19)21/h1-6,10-11,20-21H,7H2
InChIKeyCEWWKYQNUFHWDM-UHFFFAOYSA-N
XLogP2.68
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-fluorobenzoate
CID 53806470
(2,5-Dihydroxypyrrol-1-yl) benzoate
CID 53641498
(2,5-Dihydroxypyrrol-1-yl) 4-pyren-1-ylbutanoate
CID 53753149
(2,5-Dihydroxypyrrol-1-yl) 4-formylbenzoate
CID 54022956
Bis(2,5-dihydroxypyrrol-1-yl) benzene-1,4-dicarboxylate
CID 54481700
(2,5-Dihydroxypyrrol-1-yl) 4-ethenylbenzoate
CID 90879181
(2,5-Dihydroxypyrrol-1-yl) 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 53649120
(2,5-Dihydroxypyrrol-1-yl) 3-(3-fluoro-4-hydroxyphenyl)propanoate
CID 54159161
(2,5-Dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate
CID 54276619
(2,5-Dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate
CID 54350533
(2,5-Dihydroxypyrrol-1-yl) 4-[4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]butanoate
CID 57018411
(2,5-Dihydroxypyrrol-1-yl) 4-(cyano-fluoro-nitrosomethyl)benzoate
CID 90684676

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (CID 91342204) is (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is O=C(On1c(O)ccc1O)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is CEWWKYQNUFHWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c16-15(17,18)9-3-1-8(2-4-9)10-7-11(10)14(22)23-19-12(20)5-6-13(19)21/h1-6,10-11,20-21H,7H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 327.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 91342204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).