N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

C16H28F3NO — CID 79954200

IUPACN-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28F3NO/c1-2-20-14(6-10-16(17,18)19)13-7-11-21-15(12-13)8-4-3-5-9-15/h13-14,20H,2-12H2,1H3
InChIKeyBWUIDTSFHUEGAN-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.44
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 79954200) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID79954200
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28F3NO/c1-2-20-14(6-10-16(17,18)19)13-7-11-21-15(12-13)8-4-3-5-9-15/h13-14,20H,2-12H2,1H3
InChIKeyBWUIDTSFHUEGAN-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (CID 79954200) is N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is BWUIDTSFHUEGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-2-20-14(6-10-16(17,18)19)13-7-11-21-15(12-13)8-4-3-5-9-15/h13-14,20H,2-12H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 79954200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).