pyrrol-1-yl trifluoromethyl carbonate

C6H4F3NO3 — CID 175374660

IUPACpyrrol-1-yl trifluoromethyl carbonate
SMILESO=C(On1cccc1)OC(F)(F)F
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)12-5(11)13-10-3-1-2-4-10/h1-4H
InChIKeyBHCRDRDBAMYNPD-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.57
Rot. Bonds1

About pyrrol-1-yl trifluoromethyl carbonate

pyrrol-1-yl trifluoromethyl carbonate (PubChem CID 175374660) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is pyrrol-1-yl trifluoromethyl carbonate.

Molecular Properties

Compound Namepyrrol-1-yl trifluoromethyl carbonate
PubChem CID175374660
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Namepyrrol-1-yl trifluoromethyl carbonate
SMILESO=C(On1cccc1)OC(F)(F)F
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)12-5(11)13-10-3-1-2-4-10/h1-4H
InChIKeyBHCRDRDBAMYNPD-UHFFFAOYSA-N
XLogP1.57
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(trifluoromethyl) carbonate
CID 21263525
ethyl pyrrol-1-yl carbonate
CID 141367308
trifluoromethoxycarbonyl trifluoromethyl carbonate
CID 158204157
bis(trifluoromethyl) oxalate
CID 71350742
trifluoromethyl carbonofluoridate
CID 541789
trifluoromethyl 2-fluoroacetate
CID 151136868
pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate
CID 175307949
CID 87138094
CID 87138094
CID 87608976
CID 87608976
bis(trifluoromethyl) oxalate;boric acid
CID 174985556
(2,5-dihydroxypyrrol-1-yl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
CID 90828189
pyrrol-1-yl pyridine-3-carboxylate;hydrochloride
CID 174946460

Frequently Asked Questions

What is the IUPAC name of pyrrol-1-yl trifluoromethyl carbonate?
The IUPAC name of pyrrol-1-yl trifluoromethyl carbonate (CID 175374660) is pyrrol-1-yl trifluoromethyl carbonate.
What is the SMILES notation for pyrrol-1-yl trifluoromethyl carbonate?
The canonical SMILES for pyrrol-1-yl trifluoromethyl carbonate is O=C(On1cccc1)OC(F)(F)F.
What is the InChIKey of pyrrol-1-yl trifluoromethyl carbonate?
The InChIKey is BHCRDRDBAMYNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c7-6(8,9)12-5(11)13-10-3-1-2-4-10/h1-4H.
What are the key properties of pyrrol-1-yl trifluoromethyl carbonate?
pyrrol-1-yl trifluoromethyl carbonate has a molecular weight of 195.10 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-1-yl trifluoromethyl carbonate is sourced from PubChem (CID 175374660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).