2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene

C10H11F3 — CID 58278987

IUPAC2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1C(F)F
InChIInChI=1S/C10H11F3/c1-6(2)8-4-3-7(11)5-9(8)10(12)13/h3-6,10H,1-2H3
InChIKeyOGUAQFAHXQTREO-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.89
Rot. Bonds2

About 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene

2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene (PubChem CID 58278987) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
PubChem CID58278987
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1C(F)F
InChIInChI=1S/C10H11F3/c1-6(2)8-4-3-7(11)5-9(8)10(12)13/h3-6,10H,1-2H3
InChIKeyOGUAQFAHXQTREO-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-fluoro-2-propan-2-ylbenzenethiol
CID 67556850
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
1-(bromomethyl)-2-(difluoromethyl)-4-fluorobenzene
CID 138484081
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
CID 176716143
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene?
The IUPAC name of 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene (CID 58278987) is 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene.
What is the SMILES notation for 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene?
The canonical SMILES for 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene is CC(C)c1ccc(F)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene?
The InChIKey is OGUAQFAHXQTREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-6(2)8-4-3-7(11)5-9(8)10(12)13/h3-6,10H,1-2H3.
What are the key properties of 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene?
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene has a molecular weight of 188.19 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene is sourced from PubChem (CID 58278987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).