2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C16H11ClF6O2 — CID 11710738

IUPAC2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(OCc2ccccc2)c(Cl)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H11ClF6O2/c17-12-8-11(14(24,15(18,19)20)16(21,22)23)6-7-13(12)25-9-10-4-2-1-3-5-10/h1-8,24H,9H2
InChIKeyRWLGXTFUQDLVFX-UHFFFAOYSA-N
MW384.70 g/mol
LogP5.23
Rot. Bonds4

About 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11710738) has the molecular formula C16H11ClF6O2 and a molecular weight of 384.70 g/mol. Its IUPAC name is 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11710738
Molecular FormulaC16H11ClF6O2
Molecular Weight384.70 g/mol
Exact Mass384.04
IUPAC Name2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(OCc2ccccc2)c(Cl)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H11ClF6O2/c17-12-8-11(14(24,15(18,19)20)16(21,22)23)6-7-13(12)25-9-10-4-2-1-3-5-10/h1-8,24H,9H2
InChIKeyRWLGXTFUQDLVFX-UHFFFAOYSA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.70
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11710738) is 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(OCc2ccccc2)c(Cl)c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is RWLGXTFUQDLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6O2/c17-12-8-11(14(24,15(18,19)20)16(21,22)23)6-7-13(12)25-9-10-4-2-1-3-5-10/h1-8,24H,9H2.
What are the key properties of 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 384.70 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenylmethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11710738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).