1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol

C17H15F6NO — CID 20792423

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol
SMILESCC(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H15F6NO/c1-11(12-5-3-2-4-6-12)24-14-9-7-13(8-10-14)15(25,16(18,19)20)17(21,22)23/h2-11,24-25H,1H3
InChIKeyVTSGMTSAHZFMGO-UHFFFAOYSA-N
MW363.30 g/mol
LogP5.17
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol (PubChem CID 20792423) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol
PubChem CID20792423
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol
SMILESCC(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H15F6NO/c1-11(12-5-3-2-4-6-12)24-14-9-7-13(8-10-14)15(25,16(18,19)20)17(21,22)23/h2-11,24-25H,1H3
InChIKeyVTSGMTSAHZFMGO-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline
CID 62649270
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
methyl (2S)-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-3-phenylpropanoate;sulfuric acid
CID 159507354
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
N-(1-phenylethyl)-4-propylaniline
CID 43078217

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol (CID 20792423) is 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol is CC(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol?
The InChIKey is VTSGMTSAHZFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO/c1-11(12-5-3-2-4-6-12)24-14-9-7-13(8-10-14)15(25,16(18,19)20)17(21,22)23/h2-11,24-25H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol has a molecular weight of 363.30 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol is sourced from PubChem (CID 20792423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).