1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine

C4H4F7N — CID 90983373

IUPAC1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine
SMILESCNC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F7N/c1-12-2(5,3(6,7)8)4(9,10)11/h12H,1H3
InChIKeyRRXRACCGCMRUJN-UHFFFAOYSA-N
MW199.07 g/mol
LogP2.00
Rot. Bonds1

About 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine

1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine (PubChem CID 90983373) has the molecular formula C4H4F7N and a molecular weight of 199.07 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine
PubChem CID90983373
Molecular FormulaC4H4F7N
Molecular Weight199.07 g/mol
Exact Mass199.02
IUPAC Name1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine
SMILESCNC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F7N/c1-12-2(5,3(6,7)8)4(9,10)11/h12H,1H3
InChIKeyRRXRACCGCMRUJN-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine (CID 90983373) is 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine is CNC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine?
The InChIKey is RRXRACCGCMRUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F7N/c1-12-2(5,3(6,7)8)4(9,10)11/h12H,1H3.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine?
1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine has a molecular weight of 199.07 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine is sourced from PubChem (CID 90983373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).