1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene

C15H11F5O — CID 150268284

IUPAC1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene
SMILESFC(F)C(Oc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H11F5O/c16-14(17)13(15(18,19)20)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyGCZZDAYQPFBWBI-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.93
Rot. Bonds4

About 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene

1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene (PubChem CID 150268284) has the molecular formula C15H11F5O and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene
PubChem CID150268284
Molecular FormulaC15H11F5O
Molecular Weight302.24 g/mol
Exact Mass302.07
IUPAC Name1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene
SMILESFC(F)C(Oc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H11F5O/c16-14(17)13(15(18,19)20)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyGCZZDAYQPFBWBI-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methoxybiphenyl
CID 11943
2-Ethoxynaphthalene
CID 7129
Benzene, 1,1'-oxybis[4-methyl-
CID 74098
4-Methoxydiphenylmethane
CID 13264
Benzyl Phenyl Ether
CID 70352
Halfenprox
CID 10140464
2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
1,1'-Biphenyl, 4,4'-dimethoxy-
CID 16484
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186
Benzyl p-tolyl ether
CID 70036
Nonoxynol-1
CID 92035818
3,4-Bis(4-methoxyphenyl)hexane
CID 8541

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene?
The IUPAC name of 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene (CID 150268284) is 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene.
What is the SMILES notation for 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene?
The canonical SMILES for 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene is FC(F)C(Oc1ccc(-c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene?
The InChIKey is GCZZDAYQPFBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O/c16-14(17)13(15(18,19)20)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H.
What are the key properties of 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene?
1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene has a molecular weight of 302.24 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene is sourced from PubChem (CID 150268284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).