6-(1-aminocyclopropyl)-2,3,4-trifluorophenol

C9H8F3NO — CID 84777063

IUPAC6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
SMILESNC1(c2cc(F)c(F)c(F)c2O)CC1
InChIInChI=1S/C9H8F3NO/c10-5-3-4(9(13)1-2-9)8(14)7(12)6(5)11/h3,14H,1-2,13H2
InChIKeyOOPQDPFIAFDSBW-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.76
Rot. Bonds1

About 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol

6-(1-aminocyclopropyl)-2,3,4-trifluorophenol (PubChem CID 84777063) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
PubChem CID84777063
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
SMILESNC1(c2cc(F)c(F)c(F)c2O)CC1
InChIInChI=1S/C9H8F3NO/c10-5-3-4(9(13)1-2-9)8(14)7(12)6(5)11/h3,14H,1-2,13H2
InChIKeyOOPQDPFIAFDSBW-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117412067
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
4-(1-aminocyclopropyl)-2,5-difluorophenol
CID 117280020
1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84795239
6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol?
The IUPAC name of 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol (CID 84777063) is 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol.
What is the SMILES notation for 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol?
The canonical SMILES for 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol is NC1(c2cc(F)c(F)c(F)c2O)CC1.
What is the InChIKey of 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol?
The InChIKey is OOPQDPFIAFDSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-5-3-4(9(13)1-2-9)8(14)7(12)6(5)11/h3,14H,1-2,13H2.
What are the key properties of 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol?
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol has a molecular weight of 203.16 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-2,3,4-trifluorophenol is sourced from PubChem (CID 84777063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).