1-(1-fluoropropyl)-2,3-dimethoxybenzene

C11H15FO2 — CID 91020266

IUPAC1-(1-fluoropropyl)-2,3-dimethoxybenzene
SMILESCCC(F)c1cccc(OC)c1OC
InChIInChI=1S/C11H15FO2/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h5-7,9H,4H2,1-3H3
InChIKeyPXTGCLXJAYVLRM-UHFFFAOYSA-N
MW198.24 g/mol
LogP3.12
Rot. Bonds4

About 1-(1-fluoropropyl)-2,3-dimethoxybenzene

1-(1-fluoropropyl)-2,3-dimethoxybenzene (PubChem CID 91020266) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(1-fluoropropyl)-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-(1-fluoropropyl)-2,3-dimethoxybenzene
PubChem CID91020266
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(1-fluoropropyl)-2,3-dimethoxybenzene
SMILESCCC(F)c1cccc(OC)c1OC
InChIInChI=1S/C11H15FO2/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h5-7,9H,4H2,1-3H3
InChIKeyPXTGCLXJAYVLRM-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
CID 80605401
2-(2,3-dimethoxyphenyl)butanal
CID 24973232
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
CID 114013501
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropyl)-2,3-dimethoxybenzene?
The IUPAC name of 1-(1-fluoropropyl)-2,3-dimethoxybenzene (CID 91020266) is 1-(1-fluoropropyl)-2,3-dimethoxybenzene.
What is the SMILES notation for 1-(1-fluoropropyl)-2,3-dimethoxybenzene?
The canonical SMILES for 1-(1-fluoropropyl)-2,3-dimethoxybenzene is CCC(F)c1cccc(OC)c1OC.
What is the InChIKey of 1-(1-fluoropropyl)-2,3-dimethoxybenzene?
The InChIKey is PXTGCLXJAYVLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h5-7,9H,4H2,1-3H3.
What are the key properties of 1-(1-fluoropropyl)-2,3-dimethoxybenzene?
1-(1-fluoropropyl)-2,3-dimethoxybenzene has a molecular weight of 198.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropyl)-2,3-dimethoxybenzene is sourced from PubChem (CID 91020266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).