1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine

C6H10F5N — CID 151566356

IUPAC1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC(F)(F)C(F)(F)CF
InChIInChI=1S/C6H10F5N/c1-4(2)12-6(10,11)5(8,9)3-7/h4,12H,3H2,1-2H3
InChIKeyQDNCUEPBRCIFFI-UHFFFAOYSA-N
MW191.14 g/mol
LogP2.18
Rot. Bonds4

About 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine

1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine (PubChem CID 151566356) has the molecular formula C6H10F5N and a molecular weight of 191.14 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine
PubChem CID151566356
Molecular FormulaC6H10F5N
Molecular Weight191.14 g/mol
Exact Mass191.07
IUPAC Name1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC(F)(F)C(F)(F)CF
InChIInChI=1S/C6H10F5N/c1-4(2)12-6(10,11)5(8,9)3-7/h4,12H,3H2,1-2H3
InChIKeyQDNCUEPBRCIFFI-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-2-methyl-N-propan-2-ylpropan-2-amine
CID 20782611
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835
1,1,3,3,4,4,5,5,6,6,7,7,8-tridecafluoro-2-methyloctane
CID 173149555
2,2,2-tris(propan-2-ylamino)ethanol
CID 175145036
3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
4,4-difluoro-N,5,5-trimethylhexan-2-amine
CID 105438278
1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284
benzene;1,1,1,2,2,3-hexafluoropropane
CID 174871596
1-(1-fluoroethoxy)-2-methyl-N-propan-2-ylpropan-2-amine
CID 158734827
4-ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 87066747

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine?
The IUPAC name of 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine (CID 151566356) is 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine is CC(C)NC(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine?
The InChIKey is QDNCUEPBRCIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5N/c1-4(2)12-6(10,11)5(8,9)3-7/h4,12H,3H2,1-2H3.
What are the key properties of 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine?
1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine has a molecular weight of 191.14 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 151566356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).