3-(1-aminocyclobutyl)-2,4-difluorophenol

C10H11F2NO — CID 117288339

IUPAC3-(1-aminocyclobutyl)-2,4-difluorophenol
SMILESNC1(c2c(F)ccc(O)c2F)CCC1
InChIInChI=1S/C10H11F2NO/c11-6-2-3-7(14)9(12)8(6)10(13)4-1-5-10/h2-3,14H,1,4-5,13H2
InChIKeyPMIMVUIXEKHCRO-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.01
Rot. Bonds1

About 3-(1-aminocyclobutyl)-2,4-difluorophenol

3-(1-aminocyclobutyl)-2,4-difluorophenol (PubChem CID 117288339) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-(1-aminocyclobutyl)-2,4-difluorophenol.

Molecular Properties

Compound Name3-(1-aminocyclobutyl)-2,4-difluorophenol
PubChem CID117288339
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-(1-aminocyclobutyl)-2,4-difluorophenol
SMILESNC1(c2c(F)ccc(O)c2F)CCC1
InChIInChI=1S/C10H11F2NO/c11-6-2-3-7(14)9(12)8(6)10(13)4-1-5-10/h2-3,14H,1,4-5,13H2
InChIKeyPMIMVUIXEKHCRO-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopropyl)-3,4-difluorophenol
CID 84769570
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
CID 117471497
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline
CID 117112819
2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
CID 117364421
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclobutyl)-2,4-difluorophenol?
The IUPAC name of 3-(1-aminocyclobutyl)-2,4-difluorophenol (CID 117288339) is 3-(1-aminocyclobutyl)-2,4-difluorophenol.
What is the SMILES notation for 3-(1-aminocyclobutyl)-2,4-difluorophenol?
The canonical SMILES for 3-(1-aminocyclobutyl)-2,4-difluorophenol is NC1(c2c(F)ccc(O)c2F)CCC1.
What is the InChIKey of 3-(1-aminocyclobutyl)-2,4-difluorophenol?
The InChIKey is PMIMVUIXEKHCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-6-2-3-7(14)9(12)8(6)10(13)4-1-5-10/h2-3,14H,1,4-5,13H2.
What are the key properties of 3-(1-aminocyclobutyl)-2,4-difluorophenol?
3-(1-aminocyclobutyl)-2,4-difluorophenol has a molecular weight of 199.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclobutyl)-2,4-difluorophenol is sourced from PubChem (CID 117288339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).