(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone

C13H21F2NO2 — CID 67953777

IUPAC(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone
SMILESCCC1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO2/c1-2-10-7-11(17)8-16(10)12(18)9-3-5-13(14,15)6-4-9/h9-11,17H,2-8H2,1H3/t10?,11-/m1/s1
InChIKeyKCPHKRBTNJHYAV-RRKGBCIJSA-N
MW261.31 g/mol
LogP2.18
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 67953777) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID67953777
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone
SMILESCCC1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO2/c1-2-10-7-11(17)8-16(10)12(18)9-3-5-13(14,15)6-4-9/h9-11,17H,2-8H2,1H3/t10?,11-/m1/s1
InChIKeyKCPHKRBTNJHYAV-RRKGBCIJSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone (CID 67953777) is (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone is CCC1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is KCPHKRBTNJHYAV-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-2-10-7-11(17)8-16(10)12(18)9-3-5-13(14,15)6-4-9/h9-11,17H,2-8H2,1H3/t10?,11-/m1/s1.
What are the key properties of (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 261.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 67953777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).