1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene

C10H6F8 — CID 139245537

IUPAC1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(CC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H6F8/c11-8(12,10(16,17)18)5-6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2
InChIKeyYTTDBMPLSYSQRU-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.45
Rot. Bonds2

About 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene

1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene (PubChem CID 139245537) has the molecular formula C10H6F8 and a molecular weight of 278.14 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
PubChem CID139245537
Molecular FormulaC10H6F8
Molecular Weight278.14 g/mol
Exact Mass278.03
IUPAC Name1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(CC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H6F8/c11-8(12,10(16,17)18)5-6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2
InChIKeyYTTDBMPLSYSQRU-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62723896
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butanenitrile
CID 155351066
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
CID 63701463
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol
CID 54568761
1-(bromomethyl)-3-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene
CID 162007263
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene (CID 139245537) is 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(CC(F)(F)C(F)(F)F)c1.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene?
The InChIKey is YTTDBMPLSYSQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8/c11-8(12,10(16,17)18)5-6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2.
What are the key properties of 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene?
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene has a molecular weight of 278.14 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 139245537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).