2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol

C9H18F3NO2 — CID 82957714

IUPAC2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol
SMILESCCNC(CO)CCOCCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-2-13-8(7-14)3-5-15-6-4-9(10,11)12/h8,13-14H,2-7H2,1H3
InChIKeyJUIWTPDVHRTWMH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.32
Rot. Bonds8

About 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol

2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol (PubChem CID 82957714) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol
PubChem CID82957714
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol
SMILESCCNC(CO)CCOCCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-2-13-8(7-14)3-5-15-6-4-9(10,11)12/h8,13-14H,2-7H2,1H3
InChIKeyJUIWTPDVHRTWMH-UHFFFAOYSA-N
XLogP1.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955028
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008
N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
CID 105140017
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
ethyl 2-(ethylamino)-4-(4,4,4-trifluorobutoxy)butanoate
CID 82787989
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol (CID 82957714) is 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol is CCNC(CO)CCOCCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol?
The InChIKey is JUIWTPDVHRTWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-2-13-8(7-14)3-5-15-6-4-9(10,11)12/h8,13-14H,2-7H2,1H3.
What are the key properties of 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol?
2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol is sourced from PubChem (CID 82957714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).