1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine

C7H10F5NO — CID 164536665

IUPAC1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1CC(F)(F)CCO1)C(F)(F)F
InChIInChI=1S/C7H10F5NO/c8-6(9)1-2-14-4(3-6)5(13)7(10,11)12/h4-5H,1-3,13H2
InChIKeyAVDKJDWWAFAOAB-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.69
Rot. Bonds1

About 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine

1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 164536665) has the molecular formula C7H10F5NO and a molecular weight of 219.15 g/mol. Its IUPAC name is 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine
PubChem CID164536665
Molecular FormulaC7H10F5NO
Molecular Weight219.15 g/mol
Exact Mass219.07
IUPAC Name1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1CC(F)(F)CCO1)C(F)(F)F
InChIInChI=1S/C7H10F5NO/c8-6(9)1-2-14-4(3-6)5(13)7(10,11)12/h4-5H,1-3,13H2
InChIKeyAVDKJDWWAFAOAB-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Ethyl-4-fluorooxan-3-amine
CID 90846675
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(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine
CID 129076819
1-[6-(2-Amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
CID 130427209
1-[6-(2-Amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
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CID 131382405

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine (CID 164536665) is 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine is NC(C1CC(F)(F)CCO1)C(F)(F)F.
What is the InChIKey of 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is AVDKJDWWAFAOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO/c8-6(9)1-2-14-4(3-6)5(13)7(10,11)12/h4-5H,1-3,13H2.
What are the key properties of 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine?
1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 219.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 164536665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).