2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine

C8H16F4N2 — CID 106293654

IUPAC2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
SMILESCC(CCN)CNCC(F)(F)C(F)F
InChIInChI=1S/C8H16F4N2/c1-6(2-3-13)4-14-5-8(11,12)7(9)10/h6-7,14H,2-5,13H2,1H3
InChIKeyMELAQCROBDHBEZ-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.46
Rot. Bonds7

About 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine

2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine (PubChem CID 106293654) has the molecular formula C8H16F4N2 and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
PubChem CID106293654
Molecular FormulaC8H16F4N2
Molecular Weight216.22 g/mol
Exact Mass216.12
IUPAC Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
SMILESCC(CCN)CNCC(F)(F)C(F)F
InChIInChI=1S/C8H16F4N2/c1-6(2-3-13)4-14-5-8(11,12)7(9)10/h6-7,14H,2-5,13H2,1H3
InChIKeyMELAQCROBDHBEZ-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
CID 106293632
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
3,3,4,4-tetrafluorobutan-1-amine;hydrochloride
CID 138991551
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
CID 114899374
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine
CID 114169597
4,4,5,5-tetrafluoropentan-1-amine
CID 130986187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine (CID 106293654) is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine is CC(CCN)CNCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine?
The InChIKey is MELAQCROBDHBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F4N2/c1-6(2-3-13)4-14-5-8(11,12)7(9)10/h6-7,14H,2-5,13H2,1H3.
What are the key properties of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine?
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine has a molecular weight of 216.22 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine is sourced from PubChem (CID 106293654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).