(1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate

C18H16F2O3 — CID 150729585

IUPAC(1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
SMILESCC1(OC(=O)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16F2O3/c1-17(10-11-17)23-16(21)18(22,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-9,22H,10-11H2,1H3
InChIKeyJROGWYSMIFAMOC-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.30
Rot. Bonds4

About (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate

(1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate (PubChem CID 150729585) has the molecular formula C18H16F2O3 and a molecular weight of 318.32 g/mol. Its IUPAC name is (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
PubChem CID150729585
Molecular FormulaC18H16F2O3
Molecular Weight318.32 g/mol
Exact Mass318.11
IUPAC Name(1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
SMILESCC1(OC(=O)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16F2O3/c1-17(10-11-17)23-16(21)18(22,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-9,22H,10-11H2,1H3
InChIKeyJROGWYSMIFAMOC-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R,5S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
CID 59113548
[(1S,2S,4R,5R)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
CID 10152252
2-(4-fluorophenyl)propan-2-ol
CID 637733
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
[(8S)-10,10-dimethyl-10-azoniatetracyclo[4.3.1.02,4.02,5]decan-8-yl] 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
CID 163595454
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
CID 86811738
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
bromomethane;(3-hydroxy-2-phenylprop-2-enyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
CID 66600852
3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119259477
1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 82931291
(9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
CID 20756876
1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
CID 130987809

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate (CID 150729585) is (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate is CC1(OC(=O)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate?
The InChIKey is JROGWYSMIFAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O3/c1-17(10-11-17)23-16(21)18(22,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-9,22H,10-11H2,1H3.
What are the key properties of (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate?
(1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate has a molecular weight of 318.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 150729585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).