N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine

C14H24F3NOS — CID 105018048

IUPACN-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C14H24F3NOS/c1-2-6-18-12(14(15,16)17)11-3-7-19-13(10-11)4-8-20-9-5-13/h11-12,18H,2-10H2,1H3
InChIKeyIQKZCNOPSLQJJG-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.61
Rot. Bonds4

About N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine

N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine (PubChem CID 105018048) has the molecular formula C14H24F3NOS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine
PubChem CID105018048
Molecular FormulaC14H24F3NOS
Molecular Weight311.41 g/mol
Exact Mass311.15
IUPAC NameN-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C14H24F3NOS/c1-2-6-18-12(14(15,16)17)11-3-7-19-13(10-11)4-8-20-9-5-13/h11-12,18H,2-10H2,1H3
InChIKeyIQKZCNOPSLQJJG-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine (CID 105018048) is N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine is CCCNC(C1CCOC2(CCSCC2)C1)C(F)(F)F.
What is the InChIKey of N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
The InChIKey is IQKZCNOPSLQJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NOS/c1-2-6-18-12(14(15,16)17)11-3-7-19-13(10-11)4-8-20-9-5-13/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine has a molecular weight of 311.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105018048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).