2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol

C16H14F3NO — CID 135758103

IUPAC2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
SMILESC[C@H](/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-11(20-10-13-5-2-3-8-15(13)21)12-6-4-7-14(9-12)16(17,18)19/h2-11,21H,1H3/b20-10+/t11-/m0/s1
InChIKeySSRYDCPMDQYAJP-KKBVUKDESA-N
MW293.29 g/mol
LogP4.59
Rot. Bonds3

About 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol

2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol (PubChem CID 135758103) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
PubChem CID135758103
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
SMILESC[C@H](/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-11(20-10-13-5-2-3-8-15(13)21)12-6-4-7-14(9-12)16(17,18)19/h2-11,21H,1H3/b20-10+/t11-/m0/s1
InChIKeySSRYDCPMDQYAJP-KKBVUKDESA-N
XLogP4.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
CID 166437320
4-nitro-2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenolate
CID 7610586
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 116712081
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
CID 135405295
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 172966190
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]urea
CID 137303958

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol (CID 135758103) is 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol is C[C@H](/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol?
The InChIKey is SSRYDCPMDQYAJP-KKBVUKDESA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11(20-10-13-5-2-3-8-15(13)21)12-6-4-7-14(9-12)16(17,18)19/h2-11,21H,1H3/b20-10+/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol?
2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol has a molecular weight of 293.29 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol is sourced from PubChem (CID 135758103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).