(2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate

C8H3F4N3O2 — CID 142095249

IUPAC(2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate
SMILESNC(=O)Oc1cc2c(nc(F)n2F)c(F)c1F
InChIInChI=1S/C8H3F4N3O2/c9-4-3(17-8(13)16)1-2-6(5(4)10)14-7(11)15(2)12/h1H,(H2,13,16)
InChIKeyWANQUMOPGSIEFK-UHFFFAOYSA-N
MW249.12 g/mol
LogP1.64
Rot. Bonds1

About (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate

(2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate (PubChem CID 142095249) has the molecular formula C8H3F4N3O2 and a molecular weight of 249.12 g/mol. Its IUPAC name is (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate.

Molecular Properties

Compound Name(2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate
PubChem CID142095249
Molecular FormulaC8H3F4N3O2
Molecular Weight249.12 g/mol
Exact Mass249.02
IUPAC Name(2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate
SMILESNC(=O)Oc1cc2c(nc(F)n2F)c(F)c1F
InChIInChI=1S/C8H3F4N3O2/c9-4-3(17-8(13)16)1-2-6(5(4)10)14-7(11)15(2)12/h1H,(H2,13,16)
InChIKeyWANQUMOPGSIEFK-UHFFFAOYSA-N
XLogP1.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-chloro-2-fluorophenyl) carbamate
CID 174670432
(5-bromo-6-fluoro-2-pyridinyl) carbamate
CID 146241183
(2,3-difluorophenyl) carbamate
CID 154511519
(3-amino-6-chloro-1,2,4-benzotriazin-8-yl) carbamate
CID 175534971
(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
CID 175391111
(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
CID 175391117
(2-amino-4-chloro-3-fluorophenyl) carbamate
CID 150880588
[2-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371614
(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate
CID 175348088
[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate
CID 175160197
2-[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]ethyl carbamate
CID 83205268
[2-(chloromethyl)-4,5-difluorophenyl] carbamate
CID 151695437

Frequently Asked Questions

What is the IUPAC name of (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate?
The IUPAC name of (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate (CID 142095249) is (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate.
What is the SMILES notation for (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate?
The canonical SMILES for (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate is NC(=O)Oc1cc2c(nc(F)n2F)c(F)c1F.
What is the InChIKey of (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate?
The InChIKey is WANQUMOPGSIEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4N3O2/c9-4-3(17-8(13)16)1-2-6(5(4)10)14-7(11)15(2)12/h1H,(H2,13,16).
What are the key properties of (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate?
(2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate has a molecular weight of 249.12 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate is sourced from PubChem (CID 142095249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).