(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone

C19H25F2NO2 — CID 124880408

IUPAC(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H25F2NO2/c20-19(21)10-8-15(9-11-19)18(24)22-12-4-7-16(22)13-17(23)14-5-2-1-3-6-14/h1-3,5-6,15-17,23H,4,7-13H2/t16-,17-/m1/s1
InChIKeyRIHINOHZTGDAQS-IAGOWNOFSA-N
MW337.41 g/mol
LogP3.93
Rot. Bonds4

About (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone (PubChem CID 124880408) has the molecular formula C19H25F2NO2 and a molecular weight of 337.41 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
PubChem CID124880408
Molecular FormulaC19H25F2NO2
Molecular Weight337.41 g/mol
Exact Mass337.19
IUPAC Name(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H25F2NO2/c20-19(21)10-8-15(9-11-19)18(24)22-12-4-7-16(22)13-17(23)14-5-2-1-3-6-14/h1-3,5-6,15-17,23H,4,7-13H2/t16-,17-/m1/s1
InChIKeyRIHINOHZTGDAQS-IAGOWNOFSA-N
XLogP3.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dithiolan-2-yl-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124742146
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 100859107
2-(1-hydroxycyclohexyl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 111540770
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
[(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(1-methylsulfonylcyclopropyl)methanone
CID 124734590
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 111472289
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111472411
(3,5-difluorophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472321
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111841104

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone (CID 124880408) is (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone?
The InChIKey is RIHINOHZTGDAQS-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25F2NO2/c20-19(21)10-8-15(9-11-19)18(24)22-12-4-7-16(22)13-17(23)14-5-2-1-3-6-14/h1-3,5-6,15-17,23H,4,7-13H2/t16-,17-/m1/s1.
What are the key properties of (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone has a molecular weight of 337.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124880408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).