1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene

C11H11F5 — CID 123931314

IUPAC1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene
SMILESCC(C)C(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5/c1-4(2)5(3)6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,1-3H3
InChIKeyDDOLNFBVADQAJB-UHFFFAOYSA-N
MW238.20 g/mol
LogP4.14
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene

1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene (PubChem CID 123931314) has the molecular formula C11H11F5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene
PubChem CID123931314
Molecular FormulaC11H11F5
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Name1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene
SMILESCC(C)C(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5/c1-4(2)5(3)6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,1-3H3
InChIKeyDDOLNFBVADQAJB-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 21113589
1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
CID 150741990
1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
CID 76786505
1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
CID 177120385
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 112704561
1-butan-2-yl-2,3,4,5,6-pentafluorobenzene
CID 13127659
5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene
CID 170013663
6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine
CID 163725103
3,4,5-trifluoro-2,6-di(propan-2-yl)benzoic acid
CID 87323711
(1S)-1-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanamine
CID 130664379
2-chloro-4,5,6-trifluoro-3-propan-2-ylaniline
CID 156531002
(1S,2R)-1-amino-3,3-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)butan-2-ol
CID 171161912

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene (CID 123931314) is 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene is CC(C)C(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene?
The InChIKey is DDOLNFBVADQAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5/c1-4(2)5(3)6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,1-3H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene?
1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene has a molecular weight of 238.20 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene is sourced from PubChem (CID 123931314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).