3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol

C10H15F2NO2 — CID 104857374

IUPAC3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCc1ccc(CNCC(F)(F)CO)o1
InChIInChI=1S/C10H15F2NO2/c1-2-8-3-4-9(15-8)5-13-6-10(11,12)7-14/h3-4,13-14H,2,5-7H2,1H3
InChIKeyZWQHDPLDCNTLPP-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.56
Rot. Bonds6

About 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857374) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857374
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCc1ccc(CNCC(F)(F)CO)o1
InChIInChI=1S/C10H15F2NO2/c1-2-8-3-4-9(15-8)5-13-6-10(11,12)7-14/h3-4,13-14H,2,5-7H2,1H3
InChIKeyZWQHDPLDCNTLPP-UHFFFAOYSA-N
XLogP1.56
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106173018
methyl 3-[(5-ethylfuran-2-yl)methylamino]-2,2-dimethylpropanoate
CID 113372076
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
methyl 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 113472111
2,2-difluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 106176448
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 106177091
N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol
CID 104857903
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
CID 115697548

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol (CID 104857374) is 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol is CCc1ccc(CNCC(F)(F)CO)o1.
What is the InChIKey of 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is ZWQHDPLDCNTLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-2-8-3-4-9(15-8)5-13-6-10(11,12)7-14/h3-4,13-14H,2,5-7H2,1H3.
What are the key properties of 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 219.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).