N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine

C8H15F4N — CID 15187677

IUPACN,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine
SMILESCCN(CC)C(C)C(F)(F)C(F)F
InChIInChI=1S/C8H15F4N/c1-4-13(5-2)6(3)8(11,12)7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyNMCZKELLHBPJTE-UHFFFAOYSA-N
MW201.21 g/mol
LogP2.62
Rot. Bonds5

About N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine

N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine (PubChem CID 15187677) has the molecular formula C8H15F4N and a molecular weight of 201.21 g/mol. Its IUPAC name is N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine
PubChem CID15187677
Molecular FormulaC8H15F4N
Molecular Weight201.21 g/mol
Exact Mass201.11
IUPAC NameN,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine
SMILESCCN(CC)C(C)C(F)(F)C(F)F
InChIInChI=1S/C8H15F4N/c1-4-13(5-2)6(3)8(11,12)7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyNMCZKELLHBPJTE-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 52.62
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
N-Isopropyl-N-(trifluoromethyl)-2-propanamine
CID 15105666
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
3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-yn-1-amine
CID 15472877
Pentafluorotributylamine
CID 129731872
Triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium
CID 57026965
Nona-fluorotributylamine
CID 86154332
1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
CID 135082782
(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
CID 7158835
N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine
CID 5092161

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine?
The IUPAC name of N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine (CID 15187677) is N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine.
What is the SMILES notation for N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine?
The canonical SMILES for N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine is CCN(CC)C(C)C(F)(F)C(F)F.
What is the InChIKey of N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine?
The InChIKey is NMCZKELLHBPJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4N/c1-4-13(5-2)6(3)8(11,12)7(9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine?
N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine has a molecular weight of 201.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine is sourced from PubChem (CID 15187677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).