CID 59716318

C3HF3N4 — CID 59716318

IUPAC—
SMILES[CH]n1nnnc1C(F)(F)F
InChIInChI=1S/C3HF3N4/c1-10-2(3(4,5)6)7-8-9-10/h1H
InChIKeyGUFWGQIPDMDUSU-UHFFFAOYSA-N
MW150.06 g/mol
LogP0.21
Rot. Bonds

About CID 59716318

CID 59716318 (PubChem CID 59716318) has the molecular formula C3HF3N4 and a molecular weight of 150.06 g/mol.

Molecular Properties

Compound NameCID 59716318
PubChem CID59716318
Molecular FormulaC3HF3N4
Molecular Weight150.06 g/mol
Exact Mass150.02
IUPAC Name—
SMILES[CH]n1nnnc1C(F)(F)F
InChIInChI=1S/C3HF3N4/c1-10-2(3(4,5)6)7-8-9-10/h1H
InChIKeyGUFWGQIPDMDUSU-UHFFFAOYSA-N
XLogP0.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.06
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
CID 87665075
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 21197249
2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid
CID 66041576
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
CID 115015041
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515
1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
CID 15470711
3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] 2-methylpropanoate
CID 24797877
1,1-bis(1-methyltetrazol-5-yl)ethanol
CID 119098788

Frequently Asked Questions

What is the IUPAC name of CID 59716318?
The IUPAC name of CID 59716318 (CID 59716318) is not available.
What is the SMILES notation for CID 59716318?
The canonical SMILES for CID 59716318 is [CH]n1nnnc1C(F)(F)F.
What is the InChIKey of CID 59716318?
The InChIKey is GUFWGQIPDMDUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3N4/c1-10-2(3(4,5)6)7-8-9-10/h1H.
What are the key properties of CID 59716318?
CID 59716318 has a molecular weight of 150.06 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59716318 is sourced from PubChem (CID 59716318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).