[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone

C20H20F2NO2P — CID 143972525

IUPAC[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C20H20F2NO2P/c1-12-5-4-10-23(12)18(24)13-8-9-15-14-6-2-3-7-16(14)19(25,17(15)11-13)20(21,22)26/h2-3,6-9,11-12,25H,4-5,10,26H2,1H3
InChIKeyAKXOYWXXSSXZLR-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.00
Rot. Bonds2

About [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone

[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 143972525) has the molecular formula C20H20F2NO2P and a molecular weight of 375.36 g/mol. Its IUPAC name is [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID143972525
Molecular FormulaC20H20F2NO2P
Molecular Weight375.36 g/mol
Exact Mass375.12
IUPAC Name[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C20H20F2NO2P/c1-12-5-4-10-23(12)18(24)13-8-9-15-14-6-2-3-7-16(14)19(25,17(15)11-13)20(21,22)26/h2-3,6-9,11-12,25H,4-5,10,26H2,1H3
InChIKeyAKXOYWXXSSXZLR-UHFFFAOYSA-N
XLogP4.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 59492597
[3-amino-4-(trifluoromethyl)phenyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 172649573
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670
[(2S)-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741065
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(1-methoxyethenyl)azetidin-1-yl]methanone
CID 143972557
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244
(4-tert-butyl-3-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 142238320
9,9-difluoro-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 170299334
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493108

Frequently Asked Questions

What is the IUPAC name of [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 143972525) is [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2.
What is the InChIKey of [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is AKXOYWXXSSXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2NO2P/c1-12-5-4-10-23(12)18(24)13-8-9-15-14-6-2-3-7-16(14)19(25,17(15)11-13)20(21,22)26/h2-3,6-9,11-12,25H,4-5,10,26H2,1H3.
What are the key properties of [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 375.36 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 143972525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).