(3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol

C8H15F2NO — CID 89215546

IUPAC(3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol
SMILESC[C@H]1C[C@@H]1[C@@](C)(N)C(F)(F)CO
InChIInChI=1S/C8H15F2NO/c1-5-3-6(5)7(2,11)8(9,10)4-12/h5-6,12H,3-4,11H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyGGNXYJGDZGIOSB-LYFYHCNISA-N
MW179.21 g/mol
LogP0.99
Rot. Bonds3

About (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol

(3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol (PubChem CID 89215546) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol
PubChem CID89215546
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol
SMILESC[C@H]1C[C@@H]1[C@@](C)(N)C(F)(F)CO
InChIInChI=1S/C8H15F2NO/c1-5-3-6(5)7(2,11)8(9,10)4-12/h5-6,12H,3-4,11H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyGGNXYJGDZGIOSB-LYFYHCNISA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol (CID 89215546) is (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol is C[C@H]1C[C@@H]1[C@@](C)(N)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol?
The InChIKey is GGNXYJGDZGIOSB-LYFYHCNISA-N. The full InChI is InChI=1S/C8H15F2NO/c1-5-3-6(5)7(2,11)8(9,10)4-12/h5-6,12H,3-4,11H2,1-2H3/t5-,6-,7+/m0/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol?
(3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol is sourced from PubChem (CID 89215546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).