1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene

C17H9F13 — CID 10551907

IUPAC1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Cc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H9F13/c18-13(19,14(20,21)17(28,29)30)12(15(22,23)24,16(25,26)27)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyOIALDJSDZCONIF-UHFFFAOYSA-N
MW460.23 g/mol
LogP7.33
Rot. Bonds4

About 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene

1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene (PubChem CID 10551907) has the molecular formula C17H9F13 and a molecular weight of 460.23 g/mol. Its IUPAC name is 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene.

Molecular Properties

Compound Name1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene
PubChem CID10551907
Molecular FormulaC17H9F13
Molecular Weight460.23 g/mol
Exact Mass460.05
IUPAC Name1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Cc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H9F13/c18-13(19,14(20,21)17(28,29)30)12(15(22,23)24,16(25,26)27)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyOIALDJSDZCONIF-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.23
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
1,1,1,3,3,3-hexafluoro-2-(naphthalen-1-ylmethyl)propane-2-sulfonic acid
CID 89249712
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)naphthalene
CID 12871981
1-(trifluoromethylsulfanylmethyl)naphthalene
CID 138971770
2-amino-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-1-ol
CID 25214823
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
CID 66760372
CID 66760372
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452

Frequently Asked Questions

What is the IUPAC name of 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene?
The IUPAC name of 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene (CID 10551907) is 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene.
What is the SMILES notation for 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene?
The canonical SMILES for 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene is FC(F)(F)C(F)(F)C(F)(F)C(Cc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene?
The InChIKey is OIALDJSDZCONIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F13/c18-13(19,14(20,21)17(28,29)30)12(15(22,23)24,16(25,26)27)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2.
What are the key properties of 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene?
1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene has a molecular weight of 460.23 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene is sourced from PubChem (CID 10551907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).