4-[(1R)-1-aminopropyl]-2,5-difluorophenol

C9H11F2NO — CID 55274209

IUPAC4-[(1R)-1-aminopropyl]-2,5-difluorophenol
SMILESCC[C@@H](N)c1cc(F)c(O)cc1F
InChIInChI=1S/C9H11F2NO/c1-2-8(12)5-3-7(11)9(13)4-6(5)10/h3-4,8,13H,2,12H2,1H3/t8-/m1/s1
InChIKeyYNYDDORNRINERK-MRVPVSSYSA-N
MW187.19 g/mol
LogP2.08
Rot. Bonds2

About 4-[(1R)-1-aminopropyl]-2,5-difluorophenol

4-[(1R)-1-aminopropyl]-2,5-difluorophenol (PubChem CID 55274209) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-2,5-difluorophenol.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-2,5-difluorophenol
PubChem CID55274209
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-[(1R)-1-aminopropyl]-2,5-difluorophenol
SMILESCC[C@@H](N)c1cc(F)c(O)cc1F
InChIInChI=1S/C9H11F2NO/c1-2-8(12)5-3-7(11)9(13)4-6(5)10/h3-4,8,13H,2,12H2,1H3/t8-/m1/s1
InChIKeyYNYDDORNRINERK-MRVPVSSYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
CID 131151166
2-[(1S)-1-aminobutyl]-4,5-difluorophenol
CID 130865865
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
4-[(1S)-1-aminopropyl]-2-chloro-5-fluoroaniline
CID 130783670
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 83988283
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
2-[(1S)-1-aminopropyl]-4-chloro-6-fluorophenol;hydrochloride
CID 171255924
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
4-(1-aminopropyl)-2-fluorobenzene-1,3-diol
CID 130062351

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]-2,5-difluorophenol?
The IUPAC name of 4-[(1R)-1-aminopropyl]-2,5-difluorophenol (CID 55274209) is 4-[(1R)-1-aminopropyl]-2,5-difluorophenol.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-2,5-difluorophenol?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-2,5-difluorophenol is CC[C@@H](N)c1cc(F)c(O)cc1F.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-2,5-difluorophenol?
The InChIKey is YNYDDORNRINERK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-2-8(12)5-3-7(11)9(13)4-6(5)10/h3-4,8,13H,2,12H2,1H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-2,5-difluorophenol?
4-[(1R)-1-aminopropyl]-2,5-difluorophenol has a molecular weight of 187.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]-2,5-difluorophenol is sourced from PubChem (CID 55274209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).