4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine

C7H10F5NO — CID 130546338

IUPAC4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine
SMILESNC1(C(F)F)CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H10F5NO/c8-5(9)6(13)1-2-14-4(3-6)7(10,11)12/h4-5H,1-3,13H2
InChIKeyHLNYRMRPJUKKCS-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.69
Rot. Bonds1

About 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine

4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine (PubChem CID 130546338) has the molecular formula C7H10F5NO and a molecular weight of 219.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine
PubChem CID130546338
Molecular FormulaC7H10F5NO
Molecular Weight219.15 g/mol
Exact Mass219.07
IUPAC Name4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine
SMILESNC1(C(F)F)CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H10F5NO/c8-5(9)6(13)1-2-14-4(3-6)7(10,11)12/h4-5H,1-3,13H2
InChIKeyHLNYRMRPJUKKCS-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine (CID 130546338) is 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine is NC1(C(F)F)CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine?
The InChIKey is HLNYRMRPJUKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO/c8-5(9)6(13)1-2-14-4(3-6)7(10,11)12/h4-5H,1-3,13H2.
What are the key properties of 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine?
4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine 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 4-(difluoromethyl)-2-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 130546338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).