1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene

C10H11F3 — CID 123800837

IUPAC1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene
SMILESCCC(F)(F)c1cccc(F)c1C
InChIInChI=1S/C10H11F3/c1-3-10(12,13)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3
InChIKeyTWDTYBHQBLNJHM-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.64
Rot. Bonds2

About 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene

1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene (PubChem CID 123800837) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene
PubChem CID123800837
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene
SMILESCCC(F)(F)c1cccc(F)c1C
InChIInChI=1S/C10H11F3/c1-3-10(12,13)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3
InChIKeyTWDTYBHQBLNJHM-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene 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

ethane;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;toluene
CID 143604043
1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
CID 143472614
1-bromo-2-(1,1-difluoropropyl)benzene
CID 116841343
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
CID 116841280
2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950267
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
1-fluoro-2,3-dimethylbenzene;formonitrile
CID 144500110
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene
CID 167265242

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene?
The IUPAC name of 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene (CID 123800837) is 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene is CCC(F)(F)c1cccc(F)c1C.
What is the InChIKey of 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene?
The InChIKey is TWDTYBHQBLNJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-3-10(12,13)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene?
1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene has a molecular weight of 188.19 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene is sourced from PubChem (CID 123800837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).