6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol

C10H10F3NO — CID 84785078

IUPAC6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
SMILESNCC1(c2cc(F)c(F)c(F)c2O)CC1
InChIInChI=1S/C10H10F3NO/c11-6-3-5(10(4-14)1-2-10)9(15)8(13)7(6)12/h3,15H,1-2,4,14H2
InChIKeyZYGKAHHHFDONJP-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.80
Rot. Bonds2

About 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol

6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol (PubChem CID 84785078) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
PubChem CID84785078
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
SMILESNCC1(c2cc(F)c(F)c(F)c2O)CC1
InChIInChI=1S/C10H10F3NO/c11-6-3-5(10(4-14)1-2-10)9(15)8(13)7(6)12/h3,15H,1-2,4,14H2
InChIKeyZYGKAHHHFDONJP-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117370184
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
CID 117301474
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol?
The IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol (CID 84785078) is 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol?
The canonical SMILES for 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol is NCC1(c2cc(F)c(F)c(F)c2O)CC1.
What is the InChIKey of 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol?
The InChIKey is ZYGKAHHHFDONJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-6-3-5(10(4-14)1-2-10)9(15)8(13)7(6)12/h3,15H,1-2,4,14H2.
What are the key properties of 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol?
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol has a molecular weight of 217.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol is sourced from PubChem (CID 84785078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).