1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene

C10H11F3 — CID 118404669

IUPAC1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(C(F)F)c1
InChIInChI=1S/C10H11F3/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6,10H,1-2H3
InChIKeyIKCLOUMUKPHTCN-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.89
Rot. Bonds2

About 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene

1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene (PubChem CID 118404669) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
PubChem CID118404669
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(C(F)F)c1
InChIInChI=1S/C10H11F3/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6,10H,1-2H3
InChIKeyIKCLOUMUKPHTCN-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

2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile
CID 84771980
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
3-fluoro-N,5-di(propan-2-yl)aniline
CID 130224455
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 84781818
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
CID 84773566
4-(3-fluoro-5-propan-2-ylphenyl)morpholine
CID 58780458
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187
1-(difluoromethyl)-3-ethenyl-5-fluorobenzene
CID 155293606
CID 174967963
CID 174967963

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene?
The IUPAC name of 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene (CID 118404669) is 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene.
What is the SMILES notation for 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene?
The canonical SMILES for 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene is CC(C)c1cc(F)cc(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene?
The InChIKey is IKCLOUMUKPHTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6,10H,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene?
1-(difluoromethyl)-3-fluoro-5-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 1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 118404669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).