(4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

C15H25F2NOS — CID 105170759

IUPAC(4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCC(F)(F)CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H25F2NOS/c16-15(17)4-1-11(2-5-15)13(18)12-3-7-19-14(9-12)6-8-20-10-14/h11-13H,1-10,18H2
InChIKeyZUURSTKIOULTKO-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.44
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

(4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105170759) has the molecular formula C15H25F2NOS and a molecular weight of 305.43 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
PubChem CID105170759
Molecular FormulaC15H25F2NOS
Molecular Weight305.43 g/mol
Exact Mass305.16
IUPAC Name(4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCC(F)(F)CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H25F2NOS/c16-15(17)4-1-11(2-5-15)13(18)12-3-7-19-14(9-12)6-8-20-10-14/h11-13H,1-10,18H2
InChIKeyZUURSTKIOULTKO-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (CID 105170759) is (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is NC(C1CCC(F)(F)CC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is ZUURSTKIOULTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NOS/c16-15(17)4-1-11(2-5-15)13(18)12-3-7-19-14(9-12)6-8-20-10-14/h11-13H,1-10,18H2.
What are the key properties of (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
(4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 305.43 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105170759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).