2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol

C11H13F2NO — CID 178197487

IUPAC2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol
SMILESCC1(C)[C@H](N)[C@H]1c1cc(F)cc(F)c1O
InChIInChI=1S/C11H13F2NO/c1-11(2)8(10(11)14)6-3-5(12)4-7(13)9(6)15/h3-4,8,10,15H,14H2,1-2H3/t8-,10-/m1/s1
InChIKeyMZVBZUIQOPACDH-PSASIEDQSA-N
MW213.23 g/mol
LogP2.12
Rot. Bonds1

About 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol

2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol (PubChem CID 178197487) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol.

Molecular Properties

Compound Name2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol
PubChem CID178197487
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol
SMILESCC1(C)[C@H](N)[C@H]1c1cc(F)cc(F)c1O
InChIInChI=1S/C11H13F2NO/c1-11(2)8(10(11)14)6-3-5(12)4-7(13)9(6)15/h3-4,8,10,15H,14H2,1-2H3/t8-,10-/m1/s1
InChIKeyMZVBZUIQOPACDH-PSASIEDQSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol?
The IUPAC name of 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol (CID 178197487) is 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol.
What is the SMILES notation for 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol?
The canonical SMILES for 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol is CC1(C)[C@H](N)[C@H]1c1cc(F)cc(F)c1O.
What is the InChIKey of 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol?
The InChIKey is MZVBZUIQOPACDH-PSASIEDQSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-11(2)8(10(11)14)6-3-5(12)4-7(13)9(6)15/h3-4,8,10,15H,14H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol?
2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol has a molecular weight of 213.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol is sourced from PubChem (CID 178197487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).