3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine

C9H8F13N — CID 12655949

IUPAC3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine
SMILESCN(C)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-23(2)3-4(7(14,15)16,8(17,18)19)5(10,11)6(12,13)9(20,21)22/h3H2,1-2H3
InChIKeyWJQAEQBYVNIJLM-UHFFFAOYSA-N
MW377.14 g/mol
LogP4.49
Rot. Bonds4

About 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine

3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine (PubChem CID 12655949) has the molecular formula C9H8F13N and a molecular weight of 377.14 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine
PubChem CID12655949
Molecular FormulaC9H8F13N
Molecular Weight377.14 g/mol
Exact Mass377.04
IUPAC Name3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine
SMILESCN(C)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-23(2)3-4(7(14,15)16,8(17,18)19)5(10,11)6(12,13)9(20,21)22/h3H2,1-2H3
InChIKeyWJQAEQBYVNIJLM-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.14
LogP ≤ 54.49
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 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine (CID 12655949) is 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine is CN(C)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine?
The InChIKey is WJQAEQBYVNIJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F13N/c1-23(2)3-4(7(14,15)16,8(17,18)19)5(10,11)6(12,13)9(20,21)22/h3H2,1-2H3.
What are the key properties of 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine?
3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine has a molecular weight of 377.14 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 12655949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).