(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium

C11H15F3NOY- — CID 153329504

IUPAC(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium
SMILESO=C(C1CCC(F)(F)CC1)N1C[CH-]C(F)C1.[Y]
InChIInChI=1S/C11H15F3NO.Y/c12-9-3-6-15(7-9)10(16)8-1-4-11(13,14)5-2-8;/h3,8-9H,1-2,4-7H2;/q-1;
InChIKeyKQNLLZBOHKZQIF-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.19
Rot. Bonds1

About (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium

(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium (PubChem CID 153329504) has the molecular formula C11H15F3NOY- and a molecular weight of 323.15 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium
PubChem CID153329504
Molecular FormulaC11H15F3NOY-
Molecular Weight323.15 g/mol
Exact Mass323.02
IUPAC Name(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium
SMILESO=C(C1CCC(F)(F)CC1)N1C[CH-]C(F)C1.[Y]
InChIInChI=1S/C11H15F3NO.Y/c12-9-3-6-15(7-9)10(16)8-1-4-11(13,14)5-2-8;/h3,8-9H,1-2,4-7H2;/q-1;
InChIKeyKQNLLZBOHKZQIF-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone
CID 145332295
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 110098458
(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506510
(6R)-1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124973963
(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 153329609
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone
CID 67953155
(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124940455
(4,4-difluorocyclohexyl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159642
(4,4-difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium (CID 153329504) is (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium is O=C(C1CCC(F)(F)CC1)N1C[CH-]C(F)C1.[Y].
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium?
The InChIKey is KQNLLZBOHKZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3NO.Y/c12-9-3-6-15(7-9)10(16)8-1-4-11(13,14)5-2-8;/h3,8-9H,1-2,4-7H2;/q-1;.
What are the key properties of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium?
(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium has a molecular weight of 323.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium is sourced from PubChem (CID 153329504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).