7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene

C14H15F5 — CID 129248402

IUPAC7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)C(CC(F)(F)C(F)(F)F)CCC2
InChIInChI=1S/C14H15F5/c1-9-5-6-10-3-2-4-11(12(10)7-9)8-13(15,16)14(17,18)19/h5-7,11H,2-4,8H2,1H3
InChIKeyXGHDAFMTCCZYKI-UHFFFAOYSA-N
MW278.26 g/mol
LogP5.00
Rot. Bonds2

About 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene

7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 129248402) has the molecular formula C14H15F5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID129248402
Molecular FormulaC14H15F5
Molecular Weight278.26 g/mol
Exact Mass278.11
IUPAC Name7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)C(CC(F)(F)C(F)(F)F)CCC2
InChIInChI=1S/C14H15F5/c1-9-5-6-10-3-2-4-11(12(10)7-9)8-13(15,16)14(17,18)19/h5-7,11H,2-4,8H2,1H3
InChIKeyXGHDAFMTCCZYKI-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.26
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene (CID 129248402) is 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene is Cc1ccc2c(c1)C(CC(F)(F)C(F)(F)F)CCC2.
What is the InChIKey of 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XGHDAFMTCCZYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5/c1-9-5-6-10-3-2-4-11(12(10)7-9)8-13(15,16)14(17,18)19/h5-7,11H,2-4,8H2,1H3.
What are the key properties of 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene?
7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 278.26 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 129248402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).