(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene

C16H10F8 — CID 139761767

IUPAC(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F8/c17-13(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(18,19)15(20,21)16(22,23)24/h1-10H
InChIKeyCAVYLPIBXARDMB-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.73
Rot. Bonds4

About (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene

(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene (PubChem CID 139761767) has the molecular formula C16H10F8 and a molecular weight of 354.24 g/mol. Its IUPAC name is (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene.

Molecular Properties

Compound Name(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
PubChem CID139761767
Molecular FormulaC16H10F8
Molecular Weight354.24 g/mol
Exact Mass354.07
IUPAC Name(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F8/c17-13(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(18,19)15(20,21)16(22,23)24/h1-10H
InChIKeyCAVYLPIBXARDMB-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.73
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

(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane
CID 87504522
1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
CID 14401239
(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodo-1-phenylhexyl)benzene
CID 151788080
(1,1-dibromo-2,2,2-trifluoroethyl)benzene
CID 12702818
azane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene
CID 18759354
[3,4,4,5,5,6,6,6-octafluoro-1-iodo-1-phenyl-3-(trifluoromethyl)hexyl]benzene
CID 153324331
2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511318
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
[1,1,1,2,3,3,4,5,5,6,7,7,7-tridecafluoro-4,6-bis(trifluoromethyl)heptan-2-yl]benzene
CID 123334559
1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate
CID 3796459
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline
CID 14926288

Frequently Asked Questions

What is the IUPAC name of (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene?
The IUPAC name of (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene (CID 139761767) is (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene.
What is the SMILES notation for (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene?
The canonical SMILES for (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene is FC(F)(F)C(F)(F)C(F)(F)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene?
The InChIKey is CAVYLPIBXARDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F8/c17-13(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(18,19)15(20,21)16(22,23)24/h1-10H.
What are the key properties of (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene?
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene has a molecular weight of 354.24 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene is sourced from PubChem (CID 139761767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).