3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol

C8H11F2NO2 — CID 130061026

IUPAC3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol
SMILESCC(N)(c1ccco1)C(F)(F)CO
InChIInChI=1S/C8H11F2NO2/c1-7(11,8(9,10)5-12)6-3-2-4-13-6/h2-4,12H,5,11H2,1H3
InChIKeySAVPGKFKDFIPBA-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.08
Rot. Bonds3

About 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol

3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol (PubChem CID 130061026) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol
PubChem CID130061026
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol
SMILESCC(N)(c1ccco1)C(F)(F)CO
InChIInChI=1S/C8H11F2NO2/c1-7(11,8(9,10)5-12)6-3-2-4-13-6/h2-4,12H,5,11H2,1H3
InChIKeySAVPGKFKDFIPBA-UHFFFAOYSA-N
XLogP1.08
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol?
The IUPAC name of 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol (CID 130061026) is 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol.
What is the SMILES notation for 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol?
The canonical SMILES for 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol is CC(N)(c1ccco1)C(F)(F)CO.
What is the InChIKey of 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol?
The InChIKey is SAVPGKFKDFIPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c1-7(11,8(9,10)5-12)6-3-2-4-13-6/h2-4,12H,5,11H2,1H3.
What are the key properties of 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol?
3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol has a molecular weight of 191.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol is sourced from PubChem (CID 130061026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).