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

C15H25F2NO2 — CID 105170368

IUPAC(4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCC(F)(F)CC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H25F2NO2/c16-15(17)4-1-11(2-5-15)13(18)12-3-7-20-14(9-12)6-8-19-10-14/h11-13H,1-10,18H2
InChIKeyDFGWFRWRYMXGHC-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.72
Rot. Bonds2

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

(4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105170368) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105170368
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name(4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCC(F)(F)CC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H25F2NO2/c16-15(17)4-1-11(2-5-15)13(18)12-3-7-20-14(9-12)6-8-19-10-14/h11-13H,1-10,18H2
InChIKeyDFGWFRWRYMXGHC-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine
CID 103028614
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79908107
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 79908110
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79914459
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
CID 79914929
3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 79915155
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 79915271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79915391
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
CID 79953297
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
4,4,4-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79954090

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (CID 105170368) is (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is NC(C1CCC(F)(F)CC1)C1CCOC2(CCOC2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is DFGWFRWRYMXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO2/c16-15(17)4-1-11(2-5-15)13(18)12-3-7-20-14(9-12)6-8-19-10-14/h11-13H,1-10,18H2.
What are the key properties of (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
(4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 289.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105170368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).