N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine

C27H29F6NOS — CID 134935383

IUPACN-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)S(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29F6NOS/c1-20(2)34(21(3)4)36(23-16-10-6-11-17-23,24-18-12-7-13-19-24)35-25(26(28,29)30,27(31,32)33)22-14-8-5-9-15-22/h5-21H,1-4H3
InChIKeyNNUJZJHZNKWLEH-UHFFFAOYSA-N
MW529.59 g/mol
LogP8.89
Rot. Bonds8

About N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine

N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 134935383) has the molecular formula C27H29F6NOS and a molecular weight of 529.59 g/mol. Its IUPAC name is N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine
PubChem CID134935383
Molecular FormulaC27H29F6NOS
Molecular Weight529.59 g/mol
Exact Mass529.19
IUPAC NameN-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)S(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29F6NOS/c1-20(2)34(21(3)4)36(23-16-10-6-11-17-23,24-18-12-7-13-19-24)35-25(26(28,29)30,27(31,32)33)22-14-8-5-9-15-22/h5-21H,1-4H3
InChIKeyNNUJZJHZNKWLEH-UHFFFAOYSA-N
XLogP8.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.59
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine (CID 134935383) is N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)S(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is NNUJZJHZNKWLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F6NOS/c1-20(2)34(21(3)4)36(23-16-10-6-11-17-23,24-18-12-7-13-19-24)35-25(26(28,29)30,27(31,32)33)22-14-8-5-9-15-22/h5-21H,1-4H3.
What are the key properties of N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine?
N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 529.59 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-diphenyl-λ4-sulfanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 134935383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).