2-fluoro-1,3,5-tris(trifluoromethyl)benzene

C9H2F10 — CID 12503713

IUPAC2-fluoro-1,3,5-tris(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H2F10/c10-6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17,18)19/h1-2H
InChIKeyAPVYUEZOPMPDLL-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.88
Rot. Bonds

About 2-fluoro-1,3,5-tris(trifluoromethyl)benzene

2-fluoro-1,3,5-tris(trifluoromethyl)benzene (PubChem CID 12503713) has the molecular formula C9H2F10 and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-fluoro-1,3,5-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1,3,5-tris(trifluoromethyl)benzene
PubChem CID12503713
Molecular FormulaC9H2F10
Molecular Weight300.10 g/mol
Exact Mass300.00
IUPAC Name2-fluoro-1,3,5-tris(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H2F10/c10-6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17,18)19/h1-2H
InChIKeyAPVYUEZOPMPDLL-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

magnesium bis(tetrakis[2,4,6-tris(trifluoromethyl)phenyl]boranuide)
CID 87709525
S-[2,4,6-tris(trifluoromethyl)phenyl]thiohydroxylamine
CID 129295053
1,3,6,8,10,11-hexakis(trifluoromethyl)triphenylene
CID 90327361
2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol
CID 139906003
2-sulfanyl-3,5-bis(trifluoromethyl)phenol
CID 119023054
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene
CID 121459267
2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene
CID 44891192
2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
2,4,6-tris(trifluoromethyl)benzenesulfonate
CID 22057315
1-bromo-2,3,4-trifluoro-5-(trifluoromethyl)benzene
CID 87725654
2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
CID 164892485

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3,5-tris(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1,3,5-tris(trifluoromethyl)benzene (CID 12503713) is 2-fluoro-1,3,5-tris(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1,3,5-tris(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1,3,5-tris(trifluoromethyl)benzene is Fc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-fluoro-1,3,5-tris(trifluoromethyl)benzene?
The InChIKey is APVYUEZOPMPDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F10/c10-6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17,18)19/h1-2H.
What are the key properties of 2-fluoro-1,3,5-tris(trifluoromethyl)benzene?
2-fluoro-1,3,5-tris(trifluoromethyl)benzene has a molecular weight of 300.10 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,5-tris(trifluoromethyl)benzene is sourced from PubChem (CID 12503713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).