1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene

C15H10F6O — CID 154271060

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
SMILESFC(F)(F)C(c1ccc(Oc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H10F6O/c16-14(17,18)13(15(19,20)21)10-6-8-12(9-7-10)22-11-4-2-1-3-5-11/h1-9,13H
InChIKeyBTNFCYXJAKOSQA-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.69
Rot. Bonds3

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene (PubChem CID 154271060) has the molecular formula C15H10F6O and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
PubChem CID154271060
Molecular FormulaC15H10F6O
Molecular Weight320.23 g/mol
Exact Mass320.06
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
SMILESFC(F)(F)C(c1ccc(Oc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H10F6O/c16-14(17,18)13(15(19,20)21)10-6-8-12(9-7-10)22-11-4-2-1-3-5-11/h1-9,13H
InChIKeyBTNFCYXJAKOSQA-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
CID 142414901
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776
3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43482181
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
1-[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine
CID 171176906
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840
1-[(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171180299
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-diphenoxybenzene
CID 139796245

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene (CID 154271060) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene is FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene?
The InChIKey is BTNFCYXJAKOSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O/c16-14(17,18)13(15(19,20)21)10-6-8-12(9-7-10)22-11-4-2-1-3-5-11/h1-9,13H.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene has a molecular weight of 320.23 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene is sourced from PubChem (CID 154271060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).