2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol

C7H8F10N2O — CID 130272743

IUPAC2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol
SMILESOCCNCC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F10N2O/c8-4(9,3-18-1-2-20)5(10,11)19(6(12,13)14)7(15,16)17/h18,20H,1-3H2
InChIKeyLDCCBHIOLBSBFK-UHFFFAOYSA-N
MW326.13 g/mol
LogP2.14
Rot. Bonds6

About 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol

2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol (PubChem CID 130272743) has the molecular formula C7H8F10N2O and a molecular weight of 326.13 g/mol. Its IUPAC name is 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol
PubChem CID130272743
Molecular FormulaC7H8F10N2O
Molecular Weight326.13 g/mol
Exact Mass326.05
IUPAC Name2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol
SMILESOCCNCC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F10N2O/c8-4(9,3-18-1-2-20)5(10,11)19(6(12,13)14)7(15,16)17/h18,20H,1-3H2
InChIKeyLDCCBHIOLBSBFK-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol?
The IUPAC name of 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol (CID 130272743) is 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol.
What is the SMILES notation for 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol?
The canonical SMILES for 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol is OCCNCC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol?
The InChIKey is LDCCBHIOLBSBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F10N2O/c8-4(9,3-18-1-2-20)5(10,11)19(6(12,13)14)7(15,16)17/h18,20H,1-3H2.
What are the key properties of 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol?
2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol has a molecular weight of 326.13 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol is sourced from PubChem (CID 130272743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).