5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine

C14H24F3NO — CID 102897660

IUPAC5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)8-3-4-10-18-11-12-5-9-13(19-12)6-1-2-7-13/h12,18H,1-11H2
InChIKeyMYUHFUNPEJTOIR-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.80
Rot. Bonds6

About 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine

5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine (PubChem CID 102897660) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
PubChem CID102897660
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)8-3-4-10-18-11-12-5-9-13(19-12)6-1-2-7-13/h12,18H,1-11H2
InChIKeyMYUHFUNPEJTOIR-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

3,3-Difluoro-1-oxa-7-azaspiro[4.5]decane
CID 55280740
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine
CID 62725213
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
CID 66275300
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine
CID 66276159
4,4,4-trifluoro-N-methyl-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174783
N-ethyl-4,4,4-trifluoro-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174801
4,4,4-trifluoro-1-(2-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 80175005
1-(4,4-difluorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 81931213
2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine (CID 102897660) is 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine is FC(F)(F)CCCCNCC1CCC2(CCCC2)O1.
What is the InChIKey of 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
The InChIKey is MYUHFUNPEJTOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)8-3-4-10-18-11-12-5-9-13(19-12)6-1-2-7-13/h12,18H,1-11H2.
What are the key properties of 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 102897660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).