2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine

C9H16F5N — CID 11806562

IUPAC2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CC(F)(F)C(F)(F)F)C(C)C
InChIInChI=1S/C9H16F5N/c1-6(2)15(7(3)4)5-8(10,11)9(12,13)14/h6-7H,5H2,1-4H3
InChIKeyDHPNIENWZYYEDO-UHFFFAOYSA-N
MW233.22 g/mol
LogP3.30
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine

2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 11806562) has the molecular formula C9H16F5N and a molecular weight of 233.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine
PubChem CID11806562
Molecular FormulaC9H16F5N
Molecular Weight233.22 g/mol
Exact Mass233.12
IUPAC Name2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CC(F)(F)C(F)(F)F)C(C)C
InChIInChI=1S/C9H16F5N/c1-6(2)15(7(3)4)5-8(10,11)9(12,13)14/h6-7H,5H2,1-4H3
InChIKeyDHPNIENWZYYEDO-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine (CID 11806562) is 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(CC(F)(F)C(F)(F)F)C(C)C.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is DHPNIENWZYYEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F5N/c1-6(2)15(7(3)4)5-8(10,11)9(12,13)14/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine?
2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 233.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 11806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).