2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol

C22H19F3N2O — CID 177497941

IUPAC2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol
SMILESC[C@H](c1ccc(N/N=C/c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1O
InChIInChI=1S/C22H19F3N2O/c1-15(20-4-2-3-5-21(20)28)17-8-12-19(13-9-17)27-26-14-16-6-10-18(11-7-16)22(23,24)25/h2-15,27-28H,1H3/b26-14+/t15-/m1/s1
InChIKeyZTDRJWKRMICDDY-NXYZXBHKSA-N
MW384.40 g/mol
LogP6.01
Rot. Bonds5

About 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol

2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol (PubChem CID 177497941) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol
PubChem CID177497941
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol
SMILESC[C@H](c1ccc(N/N=C/c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1O
InChIInChI=1S/C22H19F3N2O/c1-15(20-4-2-3-5-21(20)28)17-8-12-19(13-9-17)27-26-14-16-6-10-18(11-7-16)22(23,24)25/h2-15,27-28H,1H3/b26-14+/t15-/m1/s1
InChIKeyZTDRJWKRMICDDY-NXYZXBHKSA-N
XLogP6.01
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol?
The IUPAC name of 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol (CID 177497941) is 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol.
What is the SMILES notation for 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol?
The canonical SMILES for 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol is C[C@H](c1ccc(N/N=C/c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1O.
What is the InChIKey of 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol?
The InChIKey is ZTDRJWKRMICDDY-NXYZXBHKSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-15(20-4-2-3-5-21(20)28)17-8-12-19(13-9-17)27-26-14-16-6-10-18(11-7-16)22(23,24)25/h2-15,27-28H,1H3/b26-14+/t15-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol?
2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol has a molecular weight of 384.40 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol is sourced from PubChem (CID 177497941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).