9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide

C17H16F2NO2P — CID 143972600

IUPAC9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C17H16F2NO2P/c1-2-20-15(21)10-7-8-12-11-5-3-4-6-13(11)16(22,14(12)9-10)17(18,19)23/h3-9,22H,2,23H2,1H3,(H,20,21)
InChIKeyKGVIFQKYANPKID-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.12
Rot. Bonds3

About 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide

9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide (PubChem CID 143972600) has the molecular formula C17H16F2NO2P and a molecular weight of 335.29 g/mol. Its IUPAC name is 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide.

Molecular Properties

Compound Name9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide
PubChem CID143972600
Molecular FormulaC17H16F2NO2P
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C17H16F2NO2P/c1-2-20-15(21)10-7-8-12-11-5-3-4-6-13(11)16(22,14(12)9-10)17(18,19)23/h3-9,22H,2,23H2,1H3,(H,20,21)
InChIKeyKGVIFQKYANPKID-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-methyl-N-phenylfluorene-2-carboxamide
CID 143972688
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one
CID 149259882
2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide
CID 143972670
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
N-ethylbenzamide
CID 160772566
9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-pyrimidin-5-ylfluorene-2-carboxamide
CID 143972598
1-(9,9-diethylfluoren-2-yl)propan-1-one
CID 122485363
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
N-ethylbenzamide;hydrochloride
CID 57444995
1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076

Frequently Asked Questions

What is the IUPAC name of 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide?
The IUPAC name of 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide (CID 143972600) is 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide.
What is the SMILES notation for 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide?
The canonical SMILES for 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide is CCNC(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2.
What is the InChIKey of 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide?
The InChIKey is KGVIFQKYANPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2NO2P/c1-2-20-15(21)10-7-8-12-11-5-3-4-6-13(11)16(22,14(12)9-10)17(18,19)23/h3-9,22H,2,23H2,1H3,(H,20,21).
What are the key properties of 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide?
9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide is sourced from PubChem (CID 143972600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).