2-(3,5-difluorophenyl)oxan-4-amine

C11H13F2NO — CID 106534386

IUPAC2-(3,5-difluorophenyl)oxan-4-amine
SMILESNC1CCOC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C11H13F2NO/c12-8-3-7(4-9(13)5-8)11-6-10(14)1-2-15-11/h3-5,10-11H,1-2,6,14H2
InChIKeyBXEVPVBYNNKUPQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.14
Rot. Bonds1

About 2-(3,5-difluorophenyl)oxan-4-amine

2-(3,5-difluorophenyl)oxan-4-amine (PubChem CID 106534386) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)oxan-4-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)oxan-4-amine
PubChem CID106534386
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(3,5-difluorophenyl)oxan-4-amine
SMILESNC1CCOC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C11H13F2NO/c12-8-3-7(4-9(13)5-8)11-6-10(14)1-2-15-11/h3-5,10-11H,1-2,6,14H2
InChIKeyBXEVPVBYNNKUPQ-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)oxan-4-amine
CID 65101227
2-[4-(difluoromethyl)phenyl]oxan-4-amine
CID 115525538
3-(3,5-difluorophenyl)cyclopentan-1-amine
CID 64503877
3-(3,5-difluorophenyl)cycloheptan-1-amine
CID 64505323
3-(3,5-difluorophenyl)cyclohexan-1-amine
CID 64503888
2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine
CID 167480870
(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
CID 95335747
5-(3,5-difluorophenyl)oxolan-2-one
CID 103689349
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
CID 106534410
2-(2-methylpyrimidin-4-yl)oxan-4-amine
CID 115529253
2-(3,5-difluorophenyl)cyclohexan-1-amine
CID 62801272

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)oxan-4-amine?
The IUPAC name of 2-(3,5-difluorophenyl)oxan-4-amine (CID 106534386) is 2-(3,5-difluorophenyl)oxan-4-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)oxan-4-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)oxan-4-amine is NC1CCOC(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-(3,5-difluorophenyl)oxan-4-amine?
The InChIKey is BXEVPVBYNNKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-3-7(4-9(13)5-8)11-6-10(14)1-2-15-11/h3-5,10-11H,1-2,6,14H2.
What are the key properties of 2-(3,5-difluorophenyl)oxan-4-amine?
2-(3,5-difluorophenyl)oxan-4-amine has a molecular weight of 213.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)oxan-4-amine is sourced from PubChem (CID 106534386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).