3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine

C9H18F4N2 — CID 106293632

IUPAC3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
SMILESCCC(C)C(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H18F4N2/c1-3-6(2)7(14)4-15-5-9(12,13)8(10)11/h6-8,15H,3-5,14H2,1-2H3
InChIKeyFBZBMFMHLWXCFJ-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.85
Rot. Bonds7

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

3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine (PubChem CID 106293632) has the molecular formula C9H18F4N2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
PubChem CID106293632
Molecular FormulaC9H18F4N2
Molecular Weight230.25 g/mol
Exact Mass230.14
IUPAC Name3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
SMILESCCC(C)C(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H18F4N2/c1-3-6(2)7(14)4-15-5-9(12,13)8(10)11/h6-8,15H,3-5,14H2,1-2H3
InChIKeyFBZBMFMHLWXCFJ-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.85
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

1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine
CID 61168462
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
CID 61150629
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate
CID 106291309
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596
N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 106292109
1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291988
N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
CID 106292221
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine (CID 106293632) is 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine is CCC(C)C(N)CNCC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine?
The InChIKey is FBZBMFMHLWXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F4N2/c1-3-6(2)7(14)4-15-5-9(12,13)8(10)11/h6-8,15H,3-5,14H2,1-2H3.
What are the key properties of 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine?
3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine has a molecular weight of 230.25 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine is sourced from PubChem (CID 106293632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).