N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C12H20F3NOS — CID 79903035

IUPACN-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)2-5-16-10-1-6-17-11(9-10)3-7-18-8-4-11/h10,16H,1-9H2
InChIKeyNGAHMJTVIRQFJG-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.97
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79903035) has the molecular formula C12H20F3NOS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79903035
Molecular FormulaC12H20F3NOS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC NameN-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)2-5-16-10-1-6-17-11(9-10)3-7-18-8-4-11/h10,16H,1-9H2
InChIKeyNGAHMJTVIRQFJG-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
CID 79895464
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
CID 79904024
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79903035) is N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is FC(F)(F)CCNC1CCOC2(CCSCC2)C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is NGAHMJTVIRQFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NOS/c13-12(14,15)2-5-16-10-1-6-17-11(9-10)3-7-18-8-4-11/h10,16H,1-9H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 283.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).