1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C13H21F4NO — CID 103475108

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESNC(COCC(F)(F)C(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H21F4NO/c14-12(15)13(16,17)7-19-6-11(18)5-10-4-8-1-2-9(10)3-8/h8-12H,1-7,18H2
InChIKeyXIVFXHNWAUMPSY-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.06
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475108) has the molecular formula C13H21F4NO and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475108
Molecular FormulaC13H21F4NO
Molecular Weight283.31 g/mol
Exact Mass283.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESNC(COCC(F)(F)C(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H21F4NO/c14-12(15)13(16,17)7-19-6-11(18)5-10-4-8-1-2-9(10)3-8/h8-12H,1-7,18H2
InChIKeyXIVFXHNWAUMPSY-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.06
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 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475108) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is NC(COCC(F)(F)C(F)F)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is XIVFXHNWAUMPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO/c14-12(15)13(16,17)7-19-6-11(18)5-10-4-8-1-2-9(10)3-8/h8-12H,1-7,18H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 283.31 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).