3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine

C8H11F8N — CID 172565161

IUPAC3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
SMILESFC(F)C(F)(F)CCNCCC(F)(F)C(F)F
InChIInChI=1S/C8H11F8N/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h5-6,17H,1-4H2
InChIKeyGHXSEOQKPFGVBE-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.16
Rot. Bonds8

About 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine

3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine (PubChem CID 172565161) has the molecular formula C8H11F8N and a molecular weight of 273.17 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
PubChem CID172565161
Molecular FormulaC8H11F8N
Molecular Weight273.17 g/mol
Exact Mass273.08
IUPAC Name3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
SMILESFC(F)C(F)(F)CCNCCC(F)(F)C(F)F
InChIInChI=1S/C8H11F8N/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h5-6,17H,1-4H2
InChIKeyGHXSEOQKPFGVBE-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 172565067
CID 172565067
3,3,4,4-tetrafluorobutan-1-amine;hydrochloride
CID 138991551
N-(3,3,4,4-tetrafluorobutyl)carbamate
CID 154035397
4-chloro-1,1,2,2-tetrafluorobutane
CID 54131491
4,4,5,5-tetrafluoropentan-1-amine
CID 130986187
1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
CID 87136906
2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
CID 54187869
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596
trichloro(3,3,4,4-tetrafluorobutyl)silane
CID 144984991
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290
2,2,3,3-tetrafluoropropane-1-thiol
CID 57236549
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine?
The IUPAC name of 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine (CID 172565161) is 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine.
What is the SMILES notation for 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine?
The canonical SMILES for 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine is FC(F)C(F)(F)CCNCCC(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine?
The InChIKey is GHXSEOQKPFGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F8N/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h5-6,17H,1-4H2.
What are the key properties of 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine?
3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine has a molecular weight of 273.17 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine is sourced from PubChem (CID 172565161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).