4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane

C12H19F3O — CID 142506670

IUPAC4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(OC(F)F)cc1F
InChIInChI=1S/C8H7F3O.2C2H6/c1-5-2-3-6(4-7(5)9)12-8(10)11;2*1-2/h2-4,8H,1H3;2*1-2H3
InChIKeyBCURPYJTTLINKT-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.79
Rot. Bonds2

About 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane

4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane (PubChem CID 142506670) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
PubChem CID142506670
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(OC(F)F)cc1F
InChIInChI=1S/C8H7F3O.2C2H6/c1-5-2-3-6(4-7(5)9)12-8(10)11;2*1-2/h2-4,8H,1H3;2*1-2H3
InChIKeyBCURPYJTTLINKT-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
4-(difluoromethoxy)-2-fluoro-N-methylaniline
CID 131040110
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
CID 58839694
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
CID 79725993

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane (CID 142506670) is 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane is CC.CC.Cc1ccc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane?
The InChIKey is BCURPYJTTLINKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.2C2H6/c1-5-2-3-6(4-7(5)9)12-8(10)11;2*1-2/h2-4,8H,1H3;2*1-2H3.
What are the key properties of 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane?
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane has a molecular weight of 236.28 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane is sourced from PubChem (CID 142506670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).