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

C14H25F2NOS — CID 103516941

IUPACN-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H25F2NOS/c1-2-6-17-12(13(15)16)11-3-7-18-14(10-11)4-8-19-9-5-14/h11-13,17H,2-10H2,1H3
InChIKeyPFWNSIOQUIQBJH-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.31
Rot. Bonds5

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

N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine (PubChem CID 103516941) has the molecular formula C14H25F2NOS and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine
PubChem CID103516941
Molecular FormulaC14H25F2NOS
Molecular Weight293.42 g/mol
Exact Mass293.16
IUPAC NameN-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H25F2NOS/c1-2-6-17-12(13(15)16)11-3-7-18-14(10-11)4-8-19-9-5-14/h11-13,17H,2-10H2,1H3
InChIKeyPFWNSIOQUIQBJH-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine (CID 103516941) is N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine is CCCNC(C(F)F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
The InChIKey is PFWNSIOQUIQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NOS/c1-2-6-17-12(13(15)16)11-3-7-18-14(10-11)4-8-19-9-5-14/h11-13,17H,2-10H2,1H3.
What are the key properties of N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine?
N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine has a molecular weight of 293.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).