4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine

C9H15F6NO2Si — CID 173400833

IUPAC4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine
SMILESC=C(CCCN)[SiH](OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H15F6NO2Si/c1-7(3-2-4-16)19(17-5-8(10,11)12)18-6-9(13,14)15/h19H,1-6,16H2
InChIKeyDWIVGWNGQLRQJX-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.20
Rot. Bonds8

About 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine

4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine (PubChem CID 173400833) has the molecular formula C9H15F6NO2Si and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine.

Molecular Properties

Compound Name4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine
PubChem CID173400833
Molecular FormulaC9H15F6NO2Si
Molecular Weight311.30 g/mol
Exact Mass311.08
IUPAC Name4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine
SMILESC=C(CCCN)[SiH](OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H15F6NO2Si/c1-7(3-2-4-16)19(17-5-8(10,11)12)18-6-9(13,14)15/h19H,1-6,16H2
InChIKeyDWIVGWNGQLRQJX-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-4-methylideneheptan-1-ol
CID 174330037
3-[3-(2,2,2-trifluoroethoxy)propylsulfinyl]propan-1-amine
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3-aminopropan-1-ol;2,2,2-trifluoroacetic acid
CID 87715709
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 66686907
2-(2,2,2-trifluoroethoxy)prop-2-enenitrile
CID 141425315
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841
bis(2,2,2-trifluoroethyl) decanedioate
CID 22271802
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
3-(2,2,2-trifluoroethoxy)but-3-en-2-one
CID 71773825
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine?
The IUPAC name of 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine (CID 173400833) is 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine.
What is the SMILES notation for 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine?
The canonical SMILES for 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine is C=C(CCCN)[SiH](OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine?
The InChIKey is DWIVGWNGQLRQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO2Si/c1-7(3-2-4-16)19(17-5-8(10,11)12)18-6-9(13,14)15/h19H,1-6,16H2.
What are the key properties of 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine?
4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine has a molecular weight of 311.30 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine is sourced from PubChem (CID 173400833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).