4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

C14H24F3NO — CID 103524797

IUPAC4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCC(CC(F)(F)F)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24F3NO/c1-11(9-14(15,16)17)18-10-12-5-8-13(19-12)6-3-2-4-7-13/h11-12,18H,2-10H2,1H3
InChIKeyBYXZDVHKZHIFIV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.80
Rot. Bonds4

About 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (PubChem CID 103524797) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
PubChem CID103524797
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCC(CC(F)(F)F)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24F3NO/c1-11(9-14(15,16)17)18-10-12-5-8-13(19-12)6-3-2-4-7-13/h11-12,18H,2-10H2,1H3
InChIKeyBYXZDVHKZHIFIV-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
2-(Cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229370
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
3-[(2,4-difluorocyclohexyl)methyl]-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 166960836
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
3,3-Difluoro-1-oxa-7-azaspiro[4.5]decane
CID 55280740
N,4-dipropyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754694
N-ethyl-4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756097
N,4-diethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756100

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (CID 103524797) is 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is CC(CC(F)(F)F)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The InChIKey is BYXZDVHKZHIFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-11(9-14(15,16)17)18-10-12-5-8-13(19-12)6-3-2-4-7-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine has a molecular weight of 279.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 103524797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).