(1-fluoro-1-methoxyethyl)benzene

C9H11FO — CID 89466800

IUPAC(1-fluoro-1-methoxyethyl)benzene
SMILESCOC(C)(F)c1ccccc1
InChIInChI=1S/C9H11FO/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWPRSCGSOURYULG-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.48
Rot. Bonds2

About (1-fluoro-1-methoxyethyl)benzene

(1-fluoro-1-methoxyethyl)benzene (PubChem CID 89466800) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is (1-fluoro-1-methoxyethyl)benzene.

Molecular Properties

Compound Name(1-fluoro-1-methoxyethyl)benzene
PubChem CID89466800
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name(1-fluoro-1-methoxyethyl)benzene
SMILESCOC(C)(F)c1ccccc1
InChIInChI=1S/C9H11FO/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWPRSCGSOURYULG-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoroethylbenzene
CID 10942535
(1S)-1-methoxy-1-phenylethanol
CID 141414609
(2-chloro-1,2-difluoro-1-methoxyethyl)benzene
CID 11106546
ethane;bis(trifluoromethylbenzene)
CID 142912000
(1-methoxy-1-methylselanylethyl)benzene
CID 11831206
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
CID 167184164
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803
CID 171375456
CID 171375456
2-phenylpropan-2-ylbenzene
CID 13065
3-methoxy-2,3-diphenylbutan-2-ol
CID 3395875
1,1,2-trimethoxypropan-2-ylbenzene
CID 14068454

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-1-methoxyethyl)benzene?
The IUPAC name of (1-fluoro-1-methoxyethyl)benzene (CID 89466800) is (1-fluoro-1-methoxyethyl)benzene.
What is the SMILES notation for (1-fluoro-1-methoxyethyl)benzene?
The canonical SMILES for (1-fluoro-1-methoxyethyl)benzene is COC(C)(F)c1ccccc1.
What is the InChIKey of (1-fluoro-1-methoxyethyl)benzene?
The InChIKey is WPRSCGSOURYULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of (1-fluoro-1-methoxyethyl)benzene?
(1-fluoro-1-methoxyethyl)benzene has a molecular weight of 154.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-1-methoxyethyl)benzene is sourced from PubChem (CID 89466800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).