(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C16H25F2NO3 — CID 124940455

IUPAC(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C16H25F2NO3/c17-16(18)5-3-12(4-6-16)14(21)19-9-7-15(8-10-19)13(20)2-1-11-22-15/h12-13,20H,1-11H2/t13-/m1/s1
InChIKeyAGMIGRHLEZXDTL-CYBMUJFWSA-N
MW317.38 g/mol
LogP2.34
Rot. Bonds1

About (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 124940455) has the molecular formula C16H25F2NO3 and a molecular weight of 317.38 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID124940455
Molecular FormulaC16H25F2NO3
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C16H25F2NO3/c17-16(18)5-3-12(4-6-16)14(21)19-9-7-15(8-10-19)13(20)2-1-11-22-15/h12-13,20H,1-11H2/t13-/m1/s1
InChIKeyAGMIGRHLEZXDTL-CYBMUJFWSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluorocyclohexyl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159642
(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97144388
2,3-dihydro-1H-inden-2-yl-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126430965
N-cyclopentyl-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 72870415
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
2-(2-chloro-6-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72884255
2-(2-chloro-6-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97197491
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 126433395
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
(2,6-dimethyl-4-pyridinyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 99930019
3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
CID 124954905
4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150225

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 124940455) is (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCC2(CC1)OCCC[C@H]2O.
What is the InChIKey of (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is AGMIGRHLEZXDTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25F2NO3/c17-16(18)5-3-12(4-6-16)14(21)19-9-7-15(8-10-19)13(20)2-1-11-22-15/h12-13,20H,1-11H2/t13-/m1/s1.
What are the key properties of (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 317.38 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 124940455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).