2,2-difluoro-1-(oxan-4-yl)ethanamine

C7H13F2NO — CID 80604527

IUPAC2,2-difluoro-1-(oxan-4-yl)ethanamine
SMILESNC(C(F)F)C1CCOCC1
InChIInChI=1S/C7H13F2NO/c8-7(9)6(10)5-1-3-11-4-2-5/h5-7H,1-4,10H2
InChIKeyBEQSWYCUEHQFCJ-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds2

About 2,2-difluoro-1-(oxan-4-yl)ethanamine

2,2-difluoro-1-(oxan-4-yl)ethanamine (PubChem CID 80604527) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(oxan-4-yl)ethanamine
PubChem CID80604527
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-1-(oxan-4-yl)ethanamine
SMILESNC(C(F)F)C1CCOCC1
InChIInChI=1S/C7H13F2NO/c8-7(9)6(10)5-1-3-11-4-2-5/h5-7H,1-4,10H2
InChIKeyBEQSWYCUEHQFCJ-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
CID 155822311
(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
CID 155821044
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
2-fluoro-2-(oxan-4-yl)ethanamine
CID 112562633
4,4-difluoro-3-(oxan-4-yl)butan-1-amine
CID 115019360
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
2-[amino(oxan-4-yl)methyl]butanenitrile
CID 116946266
3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
CID 103311932
4-[2,2-difluoro-1-(oxan-4-yl)ethyl]aniline
CID 115044138
1-amino-2-(oxan-4-yl)propan-1-ol
CID 88974259
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(oxan-4-yl)ethanamine (CID 80604527) is 2,2-difluoro-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(oxan-4-yl)ethanamine is NC(C(F)F)C1CCOCC1.
What is the InChIKey of 2,2-difluoro-1-(oxan-4-yl)ethanamine?
The InChIKey is BEQSWYCUEHQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)6(10)5-1-3-11-4-2-5/h5-7H,1-4,10H2.
What are the key properties of 2,2-difluoro-1-(oxan-4-yl)ethanamine?
2,2-difluoro-1-(oxan-4-yl)ethanamine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 80604527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).