2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene

C10H11F3O — CID 116841226

IUPAC2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
SMILESCCC(F)(F)c1cc(F)ccc1OC
InChIInChI=1S/C10H11F3O/c1-3-10(12,13)8-6-7(11)4-5-9(8)14-2/h4-6H,3H2,1-2H3
InChIKeySRUYTVPCFDABOP-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.34
Rot. Bonds3

About 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene

2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene (PubChem CID 116841226) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
PubChem CID116841226
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
SMILESCCC(F)(F)c1cc(F)ccc1OC
InChIInChI=1S/C10H11F3O/c1-3-10(12,13)8-6-7(11)4-5-9(8)14-2/h4-6H,3H2,1-2H3
InChIKeySRUYTVPCFDABOP-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 105426244
2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde
CID 105455901
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
CID 116841280
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
1-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446826
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene (CID 116841226) is 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene is CCC(F)(F)c1cc(F)ccc1OC.
What is the InChIKey of 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene?
The InChIKey is SRUYTVPCFDABOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-3-10(12,13)8-6-7(11)4-5-9(8)14-2/h4-6H,3H2,1-2H3.
What are the key properties of 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene?
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene has a molecular weight of 204.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 116841226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).