2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol

C10H15F2NO2 — CID 106172831

IUPAC2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol
SMILESCC(Cc1ccco1)NCC(F)(F)CO
InChIInChI=1S/C10H15F2NO2/c1-8(5-9-3-2-4-15-9)13-6-10(11,12)7-14/h2-4,8,13-14H,5-7H2,1H3
InChIKeyNNOUAOSGCBSVTQ-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.43
Rot. Bonds6

About 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol

2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol (PubChem CID 106172831) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol
PubChem CID106172831
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol
SMILESCC(Cc1ccco1)NCC(F)(F)CO
InChIInChI=1S/C10H15F2NO2/c1-8(5-9-3-2-4-15-9)13-6-10(11,12)7-14/h2-4,8,13-14H,5-7H2,1H3
InChIKeyNNOUAOSGCBSVTQ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Furan-2-yl)propan-2-amine
CID 2772203
(3-Furan-2-yl-propyl)-methyl-amine
CID 2772204
2-Amino-3-(furan-2-yl)propanoic acid
CID 11040913
(R,5Z,8Z,11Z,14Z)-19-(furan-2-yl)-N-(1-hydroxypropan-2-yl)nonadeca-5,8,11,14-tetraenamide
CID 44563288
(R,5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 44563289
(2S)-1-fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
CID 71508637
(2S)-1-(18F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
CID 57789253
Icosa-5,8,11,14-tetraenoic acid (2-furan-2-yl-ethyl)-amide
CID 11143777
(E)-but-2-enedioic acid;2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
CID 57397490
(2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
CID 71720630
3-Furan-2-ylalanine
CID 2761503
2-Acetamido-3-(furan-2-yl)propanoic acid
CID 14519817

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol (CID 106172831) is 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol is CC(Cc1ccco1)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol?
The InChIKey is NNOUAOSGCBSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-8(5-9-3-2-4-15-9)13-6-10(11,12)7-14/h2-4,8,13-14H,5-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol?
2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol has a molecular weight of 219.23 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 106172831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).