4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine

C12H9F6N3 — CID 159042611

IUPAC4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1ncccc1C(F)(F)F.Nc1cc(F)c(F)cc1N
InChIInChI=1S/C6H3F4N.C6H6F2N2/c7-5-4(6(8,9)10)2-1-3-11-5;7-3-1-5(9)6(10)2-4(3)8/h1-3H;1-2H,9-10H2
InChIKeyJWGIMOFHWRBWCT-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.37
Rot. Bonds

About 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine

4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine (PubChem CID 159042611) has the molecular formula C12H9F6N3 and a molecular weight of 309.21 g/mol. Its IUPAC name is 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
PubChem CID159042611
Molecular FormulaC12H9F6N3
Molecular Weight309.21 g/mol
Exact Mass309.07
IUPAC Name4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1ncccc1C(F)(F)F.Nc1cc(F)c(F)cc1N
InChIInChI=1S/C6H3F4N.C6H6F2N2/c7-5-4(6(8,9)10)2-1-3-11-5;7-3-1-5(9)6(10)2-4(3)8/h1-3H;1-2H,9-10H2
InChIKeyJWGIMOFHWRBWCT-UHFFFAOYSA-N
XLogP3.37
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
3-(1,1-difluoroethyl)-2-fluoropyridine
CID 145371405
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine
CID 68718217
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol
CID 133060408
6-fluoro-5-(trifluoromethyl)pyridin-3-amine
CID 130775197
4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline
CID 160968511
4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62304327
4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
CID 154216867
4-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]aniline
CID 61358297
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
2-amino-2-(2-fluoro-3-pyridinyl)propan-1-ol
CID 55282307
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185

Frequently Asked Questions

What is the IUPAC name of 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine?
The IUPAC name of 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine (CID 159042611) is 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine is Fc1ncccc1C(F)(F)F.Nc1cc(F)c(F)cc1N.
What is the InChIKey of 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine?
The InChIKey is JWGIMOFHWRBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4N.C6H6F2N2/c7-5-4(6(8,9)10)2-1-3-11-5;7-3-1-5(9)6(10)2-4(3)8/h1-3H;1-2H,9-10H2.
What are the key properties of 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine?
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine has a molecular weight of 309.21 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 159042611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).