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

C11H13F2NO — CID 63220130

IUPAC4-(2,4-difluorophenyl)oxan-4-amine
SMILESNC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C11H13F2NO/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2
InChIKeyZPXBPIHUFAUKEM-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.93
Rot. Bonds1

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

4-(2,4-difluorophenyl)oxan-4-amine (PubChem CID 63220130) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)oxan-4-amine
PubChem CID63220130
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(2,4-difluorophenyl)oxan-4-amine
SMILESNC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C11H13F2NO/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2
InChIKeyZPXBPIHUFAUKEM-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-2-phenylpropan-2-amine
CID 62534507
(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 144615664
4-Phenyloxan-4-amine
CID 24273627
N-benzyl-4-(4-fluorophenyl)oxan-4-amine
CID 72020763
(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol
CID 71663328
3-(2-Fluorophenyl)oxetan-3-amine hydrochloride
CID 53256982
3-(3-Fluorophenyl)oxetan-3-amine hydrochloride
CID 53256984
(4-Fluorophenyl)(oxan-4-yl)methanamine
CID 62904946
4-[(2,4-Difluorophenyl)methyl]oxan-4-amine
CID 63220416
4-((3-Fluorophenyl)methyl)oxan-4-amine
CID 63220684
2-Amino-3,3,3-trifluoro-2-phenylpropan-1-ol
CID 75431955
4-(4-Fluorophenyl)oxan-4-amine hydrochloride
CID 85604901

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)oxan-4-amine?
The IUPAC name of 4-(2,4-difluorophenyl)oxan-4-amine (CID 63220130) is 4-(2,4-difluorophenyl)oxan-4-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)oxan-4-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)oxan-4-amine is NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of 4-(2,4-difluorophenyl)oxan-4-amine?
The InChIKey is ZPXBPIHUFAUKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2.
What are the key properties of 4-(2,4-difluorophenyl)oxan-4-amine?
4-(2,4-difluorophenyl)oxan-4-amine has a molecular weight of 213.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)oxan-4-amine is sourced from PubChem (CID 63220130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).