1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene

C10H10F4O — CID 132937165

IUPAC1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
SMILESCOc1ccc(CC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H10F4O/c1-15-8-4-2-7(3-5-8)6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
InChIKeyZAHAYNQGFSHMFK-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.14
Rot. Bonds4

About 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene

1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene (PubChem CID 132937165) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
PubChem CID132937165
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
SMILESCOc1ccc(CC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H10F4O/c1-15-8-4-2-7(3-5-8)6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
InChIKeyZAHAYNQGFSHMFK-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine
CID 105486503
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
4-(4-methoxyphenyl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-one
CID 103473705
2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 106292101
1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene
CID 132608190
1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol
CID 103312524
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
2,2-difluoro-3-hydroxy-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 55167754
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene?
The IUPAC name of 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene (CID 132937165) is 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene.
What is the SMILES notation for 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene?
The canonical SMILES for 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene is COc1ccc(CC(F)(F)C(F)F)cc1.
What is the InChIKey of 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene?
The InChIKey is ZAHAYNQGFSHMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-15-8-4-2-7(3-5-8)6-10(13,14)9(11)12/h2-5,9H,6H2,1H3.
What are the key properties of 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene?
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene has a molecular weight of 222.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene is sourced from PubChem (CID 132937165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).