1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane

C10H13F3 — CID 164564324

IUPAC1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
SMILESCC.Cc1cccc(C(F)F)c1F
InChIInChI=1S/C8H7F3.C2H6/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4,8H,1H3;1-2H3
InChIKeyVDUATQMXZDIQET-UHFFFAOYSA-N
MW190.21 g/mol
LogP4.10
Rot. Bonds1

About 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane

1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane (PubChem CID 164564324) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane.

Molecular Properties

Compound Name1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
PubChem CID164564324
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
SMILESCC.Cc1cccc(C(F)F)c1F
InChIInChI=1S/C8H7F3.C2H6/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4,8H,1H3;1-2H3
InChIKeyVDUATQMXZDIQET-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
2-(3-bromopropyl)-1-(difluoromethyl)-3-methylbenzene
CID 118830984
1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
CID 131010218
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
CID 134622447
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane?
The IUPAC name of 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane (CID 164564324) is 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane.
What is the SMILES notation for 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane?
The canonical SMILES for 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane is CC.Cc1cccc(C(F)F)c1F.
What is the InChIKey of 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane?
The InChIKey is VDUATQMXZDIQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C2H6/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4,8H,1H3;1-2H3.
What are the key properties of 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane?
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane has a molecular weight of 190.21 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane is sourced from PubChem (CID 164564324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).