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

C8H16F4N2O — CID 106293951

IUPAC4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
SMILESCOCCC(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C8H16F4N2O/c1-15-3-2-6(13)4-14-5-8(11,12)7(9)10/h6-7,14H,2-5,13H2,1H3
InChIKeyFDFFURYUZSPXBU-UHFFFAOYSA-N
MW232.22 g/mol
LogP0.84
Rot. Bonds8

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

4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine (PubChem CID 106293951) has the molecular formula C8H16F4N2O and a molecular weight of 232.22 g/mol. Its IUPAC name is 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
PubChem CID106293951
Molecular FormulaC8H16F4N2O
Molecular Weight232.22 g/mol
Exact Mass232.12
IUPAC Name4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
SMILESCOCCC(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C8H16F4N2O/c1-15-3-2-6(13)4-14-5-8(11,12)7(9)10/h6-7,14H,2-5,13H2,1H3
InChIKeyFDFFURYUZSPXBU-UHFFFAOYSA-N
XLogP0.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-N-(4,4,4-trifluorobutyl)butane-1,2-diamine
CID 115520240
1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291988
4-methoxy-1-N-propylbutane-1,2-diamine
CID 62477493
3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
CID 106293632
4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102913664
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
CID 65041304
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475122
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457
methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
CID 106294424
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine (CID 106293951) is 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine is COCCC(N)CNCC(F)(F)C(F)F.
What is the InChIKey of 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine?
The InChIKey is FDFFURYUZSPXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F4N2O/c1-15-3-2-6(13)4-14-5-8(11,12)7(9)10/h6-7,14H,2-5,13H2,1H3.
What are the key properties of 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine?
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine has a molecular weight of 232.22 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine is sourced from PubChem (CID 106293951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).