4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C14H22F2N2O — CID 123411538

IUPAC4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(C2CCC(F)C(F)C2)C12CCCNC2
InChIInChI=1S/C14H22F2N2O/c15-11-3-2-9(6-12(11)16)10-7-18-13(19)14(10)4-1-5-17-8-14/h9-12,17H,1-8H2,(H,18,19)
InChIKeyVCROTVJPSMHRSN-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.58
Rot. Bonds1

About 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 123411538) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID123411538
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(C2CCC(F)C(F)C2)C12CCCNC2
InChIInChI=1S/C14H22F2N2O/c15-11-3-2-9(6-12(11)16)10-7-18-13(19)14(10)4-1-5-17-8-14/h9-12,17H,1-8H2,(H,18,19)
InChIKeyVCROTVJPSMHRSN-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 123411538) is 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1NCC(C2CCC(F)C(F)C2)C12CCCNC2.
What is the InChIKey of 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VCROTVJPSMHRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c15-11-3-2-9(6-12(11)16)10-7-18-13(19)14(10)4-1-5-17-8-14/h9-12,17H,1-8H2,(H,18,19).
What are the key properties of 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 272.34 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorocyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 123411538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).