3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine

C5H4F9N — CID 87600740

IUPAC3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine
SMILESFC(F)(F)CCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F9N/c6-3(7,8)1-2-15(4(9,10)11)5(12,13)14/h1-2H2
InChIKeyRWQWIZRXXYZXTM-UHFFFAOYSA-N
MW249.08 g/mol
LogP3.28
Rot. Bonds2

About 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine (PubChem CID 87600740) has the molecular formula C5H4F9N and a molecular weight of 249.08 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine
PubChem CID87600740
Molecular FormulaC5H4F9N
Molecular Weight249.08 g/mol
Exact Mass249.02
IUPAC Name3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine
SMILESFC(F)(F)CCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F9N/c6-3(7,8)1-2-15(4(9,10)11)5(12,13)14/h1-2H2
InChIKeyRWQWIZRXXYZXTM-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 53.28
H-Bond Donors ≤ 50
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 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine (CID 87600740) is 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine is FC(F)(F)CCN(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine?
The InChIKey is RWQWIZRXXYZXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F9N/c6-3(7,8)1-2-15(4(9,10)11)5(12,13)14/h1-2H2.
What are the key properties of 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine has a molecular weight of 249.08 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-bis(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 87600740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).