3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol

C9H16F3NO2 — CID 106401410

IUPAC3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol
SMILESC=CCCOCCNCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-2-3-5-15-6-4-13-7-8(14)9(10,11)12/h2,8,13-14H,1,3-7H2
InChIKeyROTJGWVPYTZXTD-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.09
Rot. Bonds8

About 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol

3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 106401410) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID106401410
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol
SMILESC=CCCOCCNCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-2-3-5-15-6-4-13-7-8(14)9(10,11)12/h2,8,13-14H,1,3-7H2
InChIKeyROTJGWVPYTZXTD-UHFFFAOYSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,1,1-Trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol
CID 159623144
2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79113167
1,1,1-Trifluoro-3-(pent-4-enylamino)propan-2-ol
CID 105644945
3-(But-3-enylamino)-1,1-difluoropropan-2-ol
CID 105645148
1,1-Difluoro-3-(pent-4-enylamino)propan-2-ol
CID 105645543
2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106401382
N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine
CID 106401571
N-(2-but-3-enoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 106401750
2-but-3-enoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 106401945
N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114184139
3-(But-3-enylamino)-1,1,1-trifluoropropan-2-ol
CID 116034435

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol (CID 106401410) is 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol is C=CCCOCCNCC(O)C(F)(F)F.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ROTJGWVPYTZXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-2-3-5-15-6-4-13-7-8(14)9(10,11)12/h2,8,13-14H,1,3-7H2.
What are the key properties of 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol?
3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106401410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).