N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine

C10H18F3NOS — CID 79963151

IUPACN-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CSCCO1
InChIInChI=1S/C10H18F3NOS/c1-2-14-8(3-4-10(11,12)13)9-7-16-6-5-15-9/h8-9,14H,2-7H2,1H3
InChIKeyGCUIZJKUVCUXBK-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine (PubChem CID 79963151) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine
PubChem CID79963151
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CSCCO1
InChIInChI=1S/C10H18F3NOS/c1-2-14-8(3-4-10(11,12)13)9-7-16-6-5-15-9/h8-9,14H,2-7H2,1H3
InChIKeyGCUIZJKUVCUXBK-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine (CID 79963151) is N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CSCCO1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine?
The InChIKey is GCUIZJKUVCUXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-2-14-8(3-4-10(11,12)13)9-7-16-6-5-15-9/h8-9,14H,2-7H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine is sourced from PubChem (CID 79963151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).