1-(difluoromethyl)-2-propan-2-ylbenzene

C10H12F2 — CID 58978051

IUPAC1-(difluoromethyl)-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1C(F)F
InChIInChI=1S/C10H12F2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,10H,1-2H3
InChIKeySTERQFIZWRUAIL-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.75
Rot. Bonds2

About 1-(difluoromethyl)-2-propan-2-ylbenzene

1-(difluoromethyl)-2-propan-2-ylbenzene (PubChem CID 58978051) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-propan-2-ylbenzene
PubChem CID58978051
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name1-(difluoromethyl)-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1C(F)F
InChIInChI=1S/C10H12F2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,10H,1-2H3
InChIKeySTERQFIZWRUAIL-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
3-[2-(difluoromethyl)phenyl]butanal
CID 117287781
2-(difluoromethyl)phenol
CID 21386914
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium
CID 175317206
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
CID 139074965

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-(difluoromethyl)-2-propan-2-ylbenzene (CID 58978051) is 1-(difluoromethyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(difluoromethyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(difluoromethyl)-2-propan-2-ylbenzene is CC(C)c1ccccc1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-propan-2-ylbenzene?
The InChIKey is STERQFIZWRUAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,10H,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-propan-2-ylbenzene?
1-(difluoromethyl)-2-propan-2-ylbenzene has a molecular weight of 170.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 58978051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).