4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

C7H10F7NO — CID 43753340

IUPAC4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESNCCC(OCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7NO/c8-5(9)6(10,11)3-16-4(1-2-15)7(12,13)14/h4-5H,1-3,15H2
InChIKeyFALDCCZXGNLLMX-UHFFFAOYSA-N
MW257.15 g/mol
LogP2.18
Rot. Bonds6

About 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (PubChem CID 43753340) has the molecular formula C7H10F7NO and a molecular weight of 257.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
PubChem CID43753340
Molecular FormulaC7H10F7NO
Molecular Weight257.15 g/mol
Exact Mass257.07
IUPAC Name4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESNCCC(OCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7NO/c8-5(9)6(10,11)3-16-4(1-2-15)7(12,13)14/h4-5H,1-3,15H2
InChIKeyFALDCCZXGNLLMX-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (CID 43753340) is 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is NCCC(OCC(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The InChIKey is FALDCCZXGNLLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7NO/c8-5(9)6(10,11)3-16-4(1-2-15)7(12,13)14/h4-5H,1-3,15H2.
What are the key properties of 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine has a molecular weight of 257.15 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is sourced from PubChem (CID 43753340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).