4-[1-amino-2-(difluoromethoxy)ethyl]phenol

C9H11F2NO2 — CID 84721532

IUPAC4-[1-amino-2-(difluoromethoxy)ethyl]phenol
SMILESNC(COC(F)F)c1ccc(O)cc1
InChIInChI=1S/C9H11F2NO2/c10-9(11)14-5-8(12)6-1-3-7(13)4-2-6/h1-4,8-9,13H,5,12H2
InChIKeyUCAZKCZWSXMWKL-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.63
Rot. Bonds4

About 4-[1-amino-2-(difluoromethoxy)ethyl]phenol

4-[1-amino-2-(difluoromethoxy)ethyl]phenol (PubChem CID 84721532) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-[1-amino-2-(difluoromethoxy)ethyl]phenol.

Molecular Properties

Compound Name4-[1-amino-2-(difluoromethoxy)ethyl]phenol
PubChem CID84721532
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-[1-amino-2-(difluoromethoxy)ethyl]phenol
SMILESNC(COC(F)F)c1ccc(O)cc1
InChIInChI=1S/C9H11F2NO2/c10-9(11)14-5-8(12)6-1-3-7(13)4-2-6/h1-4,8-9,13H,5,12H2
InChIKeyUCAZKCZWSXMWKL-UHFFFAOYSA-N
XLogP1.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(difluoromethoxy)-1-phenylethanamine
CID 118168971
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
4-[(1S)-1,3-diaminopropyl]phenol
CID 130913331
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
4-(1-aminododecyl)phenol
CID 174770403
4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719
4-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171217740
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(difluoromethoxy)ethyl]phenol?
The IUPAC name of 4-[1-amino-2-(difluoromethoxy)ethyl]phenol (CID 84721532) is 4-[1-amino-2-(difluoromethoxy)ethyl]phenol.
What is the SMILES notation for 4-[1-amino-2-(difluoromethoxy)ethyl]phenol?
The canonical SMILES for 4-[1-amino-2-(difluoromethoxy)ethyl]phenol is NC(COC(F)F)c1ccc(O)cc1.
What is the InChIKey of 4-[1-amino-2-(difluoromethoxy)ethyl]phenol?
The InChIKey is UCAZKCZWSXMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c10-9(11)14-5-8(12)6-1-3-7(13)4-2-6/h1-4,8-9,13H,5,12H2.
What are the key properties of 4-[1-amino-2-(difluoromethoxy)ethyl]phenol?
4-[1-amino-2-(difluoromethoxy)ethyl]phenol has a molecular weight of 203.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(difluoromethoxy)ethyl]phenol is sourced from PubChem (CID 84721532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).