2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine

C7H9F8N — CID 12696965

IUPAC2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine
SMILESCN(CC(F)(F)C(F)F)CC(F)(F)C(F)F
InChIInChI=1S/C7H9F8N/c1-16(2-6(12,13)4(8)9)3-7(14,15)5(10)11/h4-5H,2-3H2,1H3
InChIKeyIXGLRTBRDULAAZ-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.72
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine

2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine (PubChem CID 12696965) has the molecular formula C7H9F8N and a molecular weight of 259.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine
PubChem CID12696965
Molecular FormulaC7H9F8N
Molecular Weight259.14 g/mol
Exact Mass259.06
IUPAC Name2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine
SMILESCN(CC(F)(F)C(F)F)CC(F)(F)C(F)F
InChIInChI=1S/C7H9F8N/c1-16(2-6(12,13)4(8)9)3-7(14,15)5(10)11/h4-5H,2-3H2,1H3
InChIKeyIXGLRTBRDULAAZ-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
CID 136149
1,2,3,3,3-Pentafluoro-1-propenyldiethylamine
CID 5909846
N-Ethyl-N-(trifluoromethyl)ethanamine
CID 12654527
2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
CID 10725976
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N,N-diisopropyl(2,2,3,3,3-pentafluoropropyl)amine
CID 11806562
(Heptafluoroisopropyl)trimethylamine
CID 12655947
(Heptafluoroisopropyl)trimethylamine hydrochloride
CID 12655948
(Perfluoro-t-butyl)trimethylamine
CID 12655951
N,N-diethylpentafluoropropenylamine
CID 3741049
N,N-Dimethyl-1,1,2,3,3,3-hexafluoropropane-1-amine
CID 11679989
1,1,2,2-Tetrafluoroethyldiethylamine
CID 12243206

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine (CID 12696965) is 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine is CN(CC(F)(F)C(F)F)CC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine?
The InChIKey is IXGLRTBRDULAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F8N/c1-16(2-6(12,13)4(8)9)3-7(14,15)5(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine has a molecular weight of 259.14 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine is sourced from PubChem (CID 12696965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).