(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene

C11H12F4 — CID 139245434

IUPAC(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene
SMILESCC(C)(C(F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F4/c1-10(2,11(13,14)15)9(12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyKNTRUXDUNDTRLF-UHFFFAOYSA-N
MW220.21 g/mol
LogP4.29
Rot. Bonds2

About (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene

(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene (PubChem CID 139245434) has the molecular formula C11H12F4 and a molecular weight of 220.21 g/mol. Its IUPAC name is (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene
PubChem CID139245434
Molecular FormulaC11H12F4
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene
SMILESCC(C)(C(F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F4/c1-10(2,11(13,14)15)9(12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyKNTRUXDUNDTRLF-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-bromo-1-fluoro-2-methylpropyl)benzene
CID 15668390
(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene
CID 14687264
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
1,1,1,2,3-pentafluoro-3-phenylpropane-2-sulfonic acid
CID 54168941
[fluoro(fluoro)methyl]benzene
CID 146164458
2-[fluoro(phenyl)methyl]-2-methylbutanamide
CID 66580068
3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 143296048
(2-bromo-2,2-difluoro-1-methoxyethyl)benzene
CID 165349696
CID 174377533
CID 174377533
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
CID 43481495
4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784

Frequently Asked Questions

What is the IUPAC name of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene?
The IUPAC name of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene (CID 139245434) is (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene.
What is the SMILES notation for (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene?
The canonical SMILES for (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene is CC(C)(C(F)c1ccccc1)C(F)(F)F.
What is the InChIKey of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene?
The InChIKey is KNTRUXDUNDTRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4/c1-10(2,11(13,14)15)9(12)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene?
(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene has a molecular weight of 220.21 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene is sourced from PubChem (CID 139245434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).