4-(1-aminocyclopropyl)-2,5-difluorophenol

C9H9F2NO — CID 117280020

IUPAC4-(1-aminocyclopropyl)-2,5-difluorophenol
SMILESNC1(c2cc(F)c(O)cc2F)CC1
InChIInChI=1S/C9H9F2NO/c10-6-4-8(13)7(11)3-5(6)9(12)1-2-9/h3-4,13H,1-2,12H2
InChIKeyWYJHGPUPQPDPHL-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.62
Rot. Bonds1

About 4-(1-aminocyclopropyl)-2,5-difluorophenol

4-(1-aminocyclopropyl)-2,5-difluorophenol (PubChem CID 117280020) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2,5-difluorophenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2,5-difluorophenol
PubChem CID117280020
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name4-(1-aminocyclopropyl)-2,5-difluorophenol
SMILESNC1(c2cc(F)c(O)cc2F)CC1
InChIInChI=1S/C9H9F2NO/c10-6-4-8(13)7(11)3-5(6)9(12)1-2-9/h3-4,13H,1-2,12H2
InChIKeyWYJHGPUPQPDPHL-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
CID 84776496
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
2,5-difluoro-4-(1-isocyanatocyclopropyl)phenol
CID 117300925
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-2,5-difluorophenol?
The IUPAC name of 4-(1-aminocyclopropyl)-2,5-difluorophenol (CID 117280020) is 4-(1-aminocyclopropyl)-2,5-difluorophenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2,5-difluorophenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-2,5-difluorophenol is NC1(c2cc(F)c(O)cc2F)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-2,5-difluorophenol?
The InChIKey is WYJHGPUPQPDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-6-4-8(13)7(11)3-5(6)9(12)1-2-9/h3-4,13H,1-2,12H2.
What are the key properties of 4-(1-aminocyclopropyl)-2,5-difluorophenol?
4-(1-aminocyclopropyl)-2,5-difluorophenol has a molecular weight of 185.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2,5-difluorophenol is sourced from PubChem (CID 117280020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).