(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol

C8H11F2NO2 — CID 130649581

IUPAC(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc([C@@H](N)C(F)(F)CO)o1
InChIInChI=1S/C8H11F2NO2/c1-5-2-3-6(13-5)7(11)8(9,10)4-12/h2-3,7,12H,4,11H2,1H3/t7-/m1/s1
InChIKeyBZQZVCZGPOZIHO-SSDOTTSWSA-N
MW191.18 g/mol
LogP1.22
Rot. Bonds3

About (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol

(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol (PubChem CID 130649581) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol
PubChem CID130649581
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc([C@@H](N)C(F)(F)CO)o1
InChIInChI=1S/C8H11F2NO2/c1-5-2-3-6(13-5)7(11)8(9,10)4-12/h2-3,7,12H,4,11H2,1H3/t7-/m1/s1
InChIKeyBZQZVCZGPOZIHO-SSDOTTSWSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine
CID 143080455
ethyl (3S)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propanoate;hydrochloride
CID 171250473
(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
CID 130700545
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 131561206
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
CID 130722221
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propan-1-ol
CID 131503878
(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol
CID 130697431
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methylphenol
CID 131543744

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol (CID 130649581) is (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol is Cc1ccc([C@@H](N)C(F)(F)CO)o1.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol?
The InChIKey is BZQZVCZGPOZIHO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F2NO2/c1-5-2-3-6(13-5)7(11)8(9,10)4-12/h2-3,7,12H,4,11H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol has a molecular weight of 191.18 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 130649581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).