2-amino-3-(4,4,4-trifluorobutoxy)phenol

C10H12F3NO2 — CID 114764271

IUPAC2-amino-3-(4,4,4-trifluorobutoxy)phenol
SMILESNc1c(O)cccc1OCCCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)5-2-6-16-8-4-1-3-7(15)9(8)14/h1,3-4,15H,2,5-6,14H2
InChIKeyADRIVBSHRVOBED-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-3-(4,4,4-trifluorobutoxy)phenol

2-amino-3-(4,4,4-trifluorobutoxy)phenol (PubChem CID 114764271) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-amino-3-(4,4,4-trifluorobutoxy)phenol.

Molecular Properties

Compound Name2-amino-3-(4,4,4-trifluorobutoxy)phenol
PubChem CID114764271
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-amino-3-(4,4,4-trifluorobutoxy)phenol
SMILESNc1c(O)cccc1OCCCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)5-2-6-16-8-4-1-3-7(15)9(8)14/h1,3-4,15H,2,5-6,14H2
InChIKeyADRIVBSHRVOBED-UHFFFAOYSA-N
XLogP2.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
2-(5,5,5-trifluoropentoxy)phenol
CID 141247265
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
2-fluoro-1-methyl-3-(4,4,4-trifluorobutoxy)benzene
CID 107661943
2-amino-3-(2,2-difluoroethoxy)phenol
CID 114764343
6-(4,4,4-trifluorobutoxy)quinolin-5-amine
CID 82788005
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
CID 114764222
4-(4,4,4-trifluorobutoxy)quinolin-8-amine
CID 83060485
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
2-methylsulfonyl-6-(3,3,3-trifluoropropoxy)aniline
CID 82954574

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,4,4-trifluorobutoxy)phenol?
The IUPAC name of 2-amino-3-(4,4,4-trifluorobutoxy)phenol (CID 114764271) is 2-amino-3-(4,4,4-trifluorobutoxy)phenol.
What is the SMILES notation for 2-amino-3-(4,4,4-trifluorobutoxy)phenol?
The canonical SMILES for 2-amino-3-(4,4,4-trifluorobutoxy)phenol is Nc1c(O)cccc1OCCCC(F)(F)F.
What is the InChIKey of 2-amino-3-(4,4,4-trifluorobutoxy)phenol?
The InChIKey is ADRIVBSHRVOBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)5-2-6-16-8-4-1-3-7(15)9(8)14/h1,3-4,15H,2,5-6,14H2.
What are the key properties of 2-amino-3-(4,4,4-trifluorobutoxy)phenol?
2-amino-3-(4,4,4-trifluorobutoxy)phenol has a molecular weight of 235.20 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,4,4-trifluorobutoxy)phenol is sourced from PubChem (CID 114764271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).