[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol

C14H12F3NO2 — CID 61229517

IUPAC[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-3-6-13(12(18)7-10)20-11-4-1-9(8-19)2-5-11/h1-7,19H,8,18H2
InChIKeyOPCRIKUQPNGMDK-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.57
Rot. Bonds3

About [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol

[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 61229517) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID61229517
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-3-6-13(12(18)7-10)20-11-4-1-9(8-19)2-5-11/h1-7,19H,8,18H2
InChIKeyOPCRIKUQPNGMDK-UHFFFAOYSA-N
XLogP3.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 115512002
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]boronic acid
CID 167728223
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 26189386
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
CID 82990529
4-[2-amino-4-(trifluoromethyl)phenoxy]-2-methylbenzonitrile
CID 82000455
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206
[4-(4-amino-2-chlorophenoxy)phenyl]methanol
CID 61229518
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389
2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 66487930

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol (CID 61229517) is [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol is Nc1cc(C(F)(F)F)ccc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is OPCRIKUQPNGMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)10-3-6-13(12(18)7-10)20-11-4-1-9(8-19)2-5-11/h1-7,19H,8,18H2.
What are the key properties of [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol?
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol has a molecular weight of 283.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 61229517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).