1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene

C10H9F5O — CID 54236481

IUPAC1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene
SMILESCc1ccc(OC(F)(F)C(F)(F)CF)cc1
InChIInChI=1S/C10H9F5O/c1-7-2-4-8(5-3-7)16-10(14,15)9(12,13)6-11/h2-5H,6H2,1H3
InChIKeyKVQGHDFPSWVTBJ-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.57
Rot. Bonds4

About 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene

1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene (PubChem CID 54236481) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene
PubChem CID54236481
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene
SMILESCc1ccc(OC(F)(F)C(F)(F)CF)cc1
InChIInChI=1S/C10H9F5O/c1-7-2-4-8(5-3-7)16-10(14,15)9(12,13)6-11/h2-5H,6H2,1H3
InChIKeyKVQGHDFPSWVTBJ-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene?
The IUPAC name of 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene (CID 54236481) is 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene.
What is the SMILES notation for 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene?
The canonical SMILES for 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene is Cc1ccc(OC(F)(F)C(F)(F)CF)cc1.
What is the InChIKey of 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene?
The InChIKey is KVQGHDFPSWVTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c1-7-2-4-8(5-3-7)16-10(14,15)9(12,13)6-11/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene?
1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene has a molecular weight of 240.17 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene is sourced from PubChem (CID 54236481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).