4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine

C8H13F6NO — CID 102721983

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine
SMILESCC(N)CC(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-4(15)3-5(2)16-6(7(9,10)11)8(12,13)14/h4-6H,3,15H2,1-2H3
InChIKeyNMAAREXWECEBJN-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.62
Rot. Bonds4

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine (PubChem CID 102721983) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine
PubChem CID102721983
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine
SMILESCC(N)CC(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-4(15)3-5(2)16-6(7(9,10)11)8(12,13)14/h4-6H,3,15H2,1-2H3
InChIKeyNMAAREXWECEBJN-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine (CID 102721983) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine is CC(N)CC(C)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine?
The InChIKey is NMAAREXWECEBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-4(15)3-5(2)16-6(7(9,10)11)8(12,13)14/h4-6H,3,15H2,1-2H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine has a molecular weight of 253.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-2-amine is sourced from PubChem (CID 102721983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).