2-(3,4-difluorophenyl)oxolan-3-amine

C10H11F2NO — CID 71683254

IUPAC2-(3,4-difluorophenyl)oxolan-3-amine
SMILESNC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-7-2-1-6(5-8(7)12)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2
InChIKeyHZGZIFLIEJLQJI-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.75
Rot. Bonds1

About 2-(3,4-difluorophenyl)oxolan-3-amine

2-(3,4-difluorophenyl)oxolan-3-amine (PubChem CID 71683254) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)oxolan-3-amine
PubChem CID71683254
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-(3,4-difluorophenyl)oxolan-3-amine
SMILESNC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-7-2-1-6(5-8(7)12)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2
InChIKeyHZGZIFLIEJLQJI-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Phenyloxolan-2-yl)methanamine
CID 11571886
1-(Benzyloxy)propan-2-amine
CID 296020
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CID 54673723
Phenethylamine, beta-methoxy-, hydrochloride
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2-Methoxy-2-phenylethan-1-amine
CID 409782
(1R,2R)-trans-2-Benzyloxy-cyclopentylamine
CID 11863649
2-(Benzyloxy)propan-1-amine
CID 296015
1-Benzyloxyhexadecan-2-amine
CID 24936444
US9790230, Example 106
CID 118859503
1-(4-Fluorophenyl)-1-methoxypropan-2-amine--hydrogen chloride (1/1)
CID 3046421
Ethanamine, 2-(bis(4-fluorophenyl)methoxy)-, hydrochloride
CID 39657
Oxazolidine, 4-methyl-5-phenyl-2-trifluoromethyl-
CID 207926

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)oxolan-3-amine?
The IUPAC name of 2-(3,4-difluorophenyl)oxolan-3-amine (CID 71683254) is 2-(3,4-difluorophenyl)oxolan-3-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)oxolan-3-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)oxolan-3-amine is NC1CCOC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)oxolan-3-amine?
The InChIKey is HZGZIFLIEJLQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-7-2-1-6(5-8(7)12)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2.
What are the key properties of 2-(3,4-difluorophenyl)oxolan-3-amine?
2-(3,4-difluorophenyl)oxolan-3-amine has a molecular weight of 199.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)oxolan-3-amine is sourced from PubChem (CID 71683254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).