(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine

C15H15F2NO2 — CID 97336723

IUPAC(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine
SMILESFc1ccc([C@H]2OCC[C@@H]2NCc2ccco2)cc1F
InChIInChI=1S/C15H15F2NO2/c16-12-4-3-10(8-13(12)17)15-14(5-7-20-15)18-9-11-2-1-6-19-11/h1-4,6,8,14-15,18H,5,7,9H2/t14-,15+/m0/s1
InChIKeyMJRNPBAVZQHANV-LSDHHAIUSA-N
MW279.29 g/mol
LogP3.18
Rot. Bonds4

About (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine

(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine (PubChem CID 97336723) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine
PubChem CID97336723
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine
SMILESFc1ccc([C@H]2OCC[C@@H]2NCc2ccco2)cc1F
InChIInChI=1S/C15H15F2NO2/c16-12-4-3-10(8-13(12)17)15-14(5-7-20-15)18-9-11-2-1-6-19-11/h1-4,6,8,14-15,18H,5,7,9H2/t14-,15+/m0/s1
InChIKeyMJRNPBAVZQHANV-LSDHHAIUSA-N
XLogP3.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 97336740
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 99835495
(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 97336733
2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 75445170
(2S,3S)-2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 97336721
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 99835530
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine
CID 133435198
2-cyclohexyl-N-(furan-2-ylmethyl)cyclopropan-1-amine
CID 115655073
1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
CID 75444523

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine?
The IUPAC name of (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine (CID 97336723) is (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine.
What is the SMILES notation for (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine?
The canonical SMILES for (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine is Fc1ccc([C@H]2OCC[C@@H]2NCc2ccco2)cc1F.
What is the InChIKey of (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine?
The InChIKey is MJRNPBAVZQHANV-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-12-4-3-10(8-13(12)17)15-14(5-7-20-15)18-9-11-2-1-6-19-11/h1-4,6,8,14-15,18H,5,7,9H2/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine?
(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine has a molecular weight of 279.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 97336723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).