N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine

C14H24F3NO — CID 82958075

IUPACN-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C14H24F3NO/c1-2-18-11-10-12(19-9-8-14(15,16)17)13(11)6-4-3-5-7-13/h11-12,18H,2-10H2,1H3
InChIKeyGBVJMQCHRUTJSL-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine

N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine (PubChem CID 82958075) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
PubChem CID82958075
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C14H24F3NO/c1-2-18-11-10-12(19-9-8-14(15,16)17)13(11)6-4-3-5-7-13/h11-12,18H,2-10H2,1H3
InChIKeyGBVJMQCHRUTJSL-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
CID 66357172
N-ethyl-3-heptoxyspiro[3.6]decan-1-amine
CID 66357419
N-ethyl-3-pentoxyspiro[3.4]octan-1-amine
CID 66356663
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
N-ethyl-3-(4-methylpentoxy)spiro[3.5]nonan-1-amine
CID 66358237
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
CID 106451100
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350530
3-bromo-1-(3,3,3-trifluoropropoxy)spiro[3.4]octane
CID 82956875
3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine (CID 82958075) is N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine is CCNC1CC(OCCC(F)(F)F)C12CCCCC2.
What is the InChIKey of N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine?
The InChIKey is GBVJMQCHRUTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-18-11-10-12(19-9-8-14(15,16)17)13(11)6-4-3-5-7-13/h11-12,18H,2-10H2,1H3.
What are the key properties of N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine?
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 82958075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).