(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene

C16H16F2 — CID 167184164

IUPAC(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
SMILESCC(C)(c1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H16F2/c1-15(2,13-9-5-3-6-10-13)16(17,18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyAVRNMTNUPQLBFK-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.76
Rot. Bonds3

About (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene

(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene (PubChem CID 167184164) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
PubChem CID167184164
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
SMILESCC(C)(c1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H16F2/c1-15(2,13-9-5-3-6-10-13)16(17,18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyAVRNMTNUPQLBFK-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1,1-difluoro-2-methyl-1-phenylpropan-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

1,1-difluoroethylbenzene
CID 10942535
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
2,3,3,4,4-pentamethylpentan-2-ylbenzene
CID 59630443
ethane;bis(trifluoromethylbenzene)
CID 142912000
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
CID 163925016

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene?
The IUPAC name of (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene (CID 167184164) is (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene.
What is the SMILES notation for (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene?
The canonical SMILES for (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene is CC(C)(c1ccccc1)C(F)(F)c1ccccc1.
What is the InChIKey of (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene?
The InChIKey is AVRNMTNUPQLBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-15(2,13-9-5-3-6-10-13)16(17,18)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene?
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene has a molecular weight of 246.30 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene is sourced from PubChem (CID 167184164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).