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

C10H11F3 — CID 139295380

IUPAC4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)F)cc1F
InChIInChI=1S/C10H11F3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6,10H,1-2H3
InChIKeyIDZCRGQPDAUNNP-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.89
Rot. Bonds2

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

4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene (PubChem CID 139295380) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
PubChem CID139295380
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)F)cc1F
InChIInChI=1S/C10H11F3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6,10H,1-2H3
InChIKeyIDZCRGQPDAUNNP-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

(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
CID 167631369
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-(3-fluoro-4-propan-2-ylphenyl)butanoic acid
CID 84789733
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485
2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine
CID 58439451
3-fluoro-4-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile
CID 166089118
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene (CID 139295380) is 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene is CC(C)c1ccc(C(F)F)cc1F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene?
The InChIKey is IDZCRGQPDAUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6,10H,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene?
4-(difluoromethyl)-2-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 4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene is sourced from PubChem (CID 139295380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).