4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine

C10H8F4N2 — CID 141467271

IUPAC4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine
SMILESFC1(F)CC(F)(F)NC(c2ccccc2)=N1
InChIInChI=1S/C10H8F4N2/c11-9(12)6-10(13,14)16-8(15-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)
InChIKeyMZQLCGUPRLZMJN-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.61
Rot. Bonds1

About 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine

4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine (PubChem CID 141467271) has the molecular formula C10H8F4N2 and a molecular weight of 232.18 g/mol. Its IUPAC name is 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine.

Molecular Properties

Compound Name4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine
PubChem CID141467271
Molecular FormulaC10H8F4N2
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Name4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine
SMILESFC1(F)CC(F)(F)NC(c2ccccc2)=N1
InChIInChI=1S/C10H8F4N2/c11-9(12)6-10(13,14)16-8(15-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)
InChIKeyMZQLCGUPRLZMJN-UHFFFAOYSA-N
XLogP2.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,5,5-triphenyl-1,4-dihydroimidazole
CID 22054806
6-phenyl-2,2,4,4-tetrakis(trichloromethyl)-1,3-dihydro-1,3,5-triazine
CID 160878276
4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
CID 175749846
4-chloro-2,6-diphenyl-1H-1,3,5-triazine-4-carboxylic acid
CID 174807962
7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol
CID 90820997
5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
CID 102265993
2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile
CID 141309981
benzene;1,1'-biphenyl;ethane
CID 158550617
2-phenyl-1,4-dihydropyrimidine-6-carboxamide
CID 70978039
benzene;tris(1,1'-biphenyl)
CID 162155747
3-fluoro-3-(4-phenylphenyl)azetidine
CID 112563501
(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide
CID 11413817

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine?
The IUPAC name of 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine (CID 141467271) is 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine.
What is the SMILES notation for 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine?
The canonical SMILES for 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine is FC1(F)CC(F)(F)NC(c2ccccc2)=N1.
What is the InChIKey of 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine?
The InChIKey is MZQLCGUPRLZMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2/c11-9(12)6-10(13,14)16-8(15-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16).
What are the key properties of 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine?
4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine has a molecular weight of 232.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine is sourced from PubChem (CID 141467271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).