CID 89183354

C5BF5N2O — CID 89183354

IUPAC—
SMILES[B]OC(C#N)(C#N)C(F)(F)C(F)(F)F
InChIInChI=1S/C5BF5N2O/c6-14-3(1-12,2-13)4(7,8)5(9,10)11
InChIKeyGCIWTEXPEXIXTD-UHFFFAOYSA-N
MW209.87 g/mol
LogP1.07
Rot. Bonds2

About CID 89183354

CID 89183354 (PubChem CID 89183354) has the molecular formula C5BF5N2O and a molecular weight of 209.87 g/mol.

Molecular Properties

Compound NameCID 89183354
PubChem CID89183354
Molecular FormulaC5BF5N2O
Molecular Weight209.87 g/mol
Exact Mass210.00
IUPAC Name—
SMILES[B]OC(C#N)(C#N)C(F)(F)C(F)(F)F
InChIInChI=1S/C5BF5N2O/c6-14-3(1-12,2-13)4(7,8)5(9,10)11
InChIKeyGCIWTEXPEXIXTD-UHFFFAOYSA-N
XLogP1.07
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.87
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanenitrile
CID 98460781
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
fluoromethanetricarbonitrile
CID 71372556
2,2-difluoropropanedinitrile
CID 71375051
1,2,2,3,3,4,4,4-octafluorobutyl 2-cyanoprop-2-enoate
CID 23002765
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
2,3,3-trifluoro-2,3-dihydroxypropanenitrile
CID 89493255
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
CID 89251308
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of CID 89183354?
The IUPAC name of CID 89183354 (CID 89183354) is not available.
What is the SMILES notation for CID 89183354?
The canonical SMILES for CID 89183354 is [B]OC(C#N)(C#N)C(F)(F)C(F)(F)F.
What is the InChIKey of CID 89183354?
The InChIKey is GCIWTEXPEXIXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5BF5N2O/c6-14-3(1-12,2-13)4(7,8)5(9,10)11.
What are the key properties of CID 89183354?
CID 89183354 has a molecular weight of 209.87 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89183354 is sourced from PubChem (CID 89183354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).