1-(1,1-difluoroethyl)-3-methoxybenzene

C9H10F2O — CID 116841600

IUPAC1-(1,1-difluoroethyl)-3-methoxybenzene
SMILESCOc1cccc(C(C)(F)F)c1
InChIInChI=1S/C9H10F2O/c1-9(10,11)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3
InChIKeyMYGXWWMWUGVFAT-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.81
Rot. Bonds2

About 1-(1,1-difluoroethyl)-3-methoxybenzene

1-(1,1-difluoroethyl)-3-methoxybenzene (PubChem CID 116841600) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-methoxybenzene
PubChem CID116841600
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1-(1,1-difluoroethyl)-3-methoxybenzene
SMILESCOc1cccc(C(C)(F)F)c1
InChIInChI=1S/C9H10F2O/c1-9(10,11)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3
InChIKeyMYGXWWMWUGVFAT-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
3,3,3-trifluoro-2-(3-methoxyphenyl)-2-methylpropanenitrile
CID 139942467
[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
CID 150215237
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-methoxybenzene?
The IUPAC name of 1-(1,1-difluoroethyl)-3-methoxybenzene (CID 116841600) is 1-(1,1-difluoroethyl)-3-methoxybenzene.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-methoxybenzene?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-methoxybenzene is COc1cccc(C(C)(F)F)c1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-methoxybenzene?
The InChIKey is MYGXWWMWUGVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-9(10,11)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-3-methoxybenzene?
1-(1,1-difluoroethyl)-3-methoxybenzene has a molecular weight of 172.17 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-methoxybenzene is sourced from PubChem (CID 116841600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).