(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol

C11H19F2NO — CID 126793935

IUPAC(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C11H19F2NO/c12-11(13)4-1-9(2-5-11)7-14-6-3-10(15)8-14/h9-10,15H,1-8H2/t10-/m1/s1
InChIKeyOZXKSFLFCVBNEQ-SNVBAGLBSA-N
MW219.27 g/mol
LogP1.88
Rot. Bonds2

About (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol

(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol (PubChem CID 126793935) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol
PubChem CID126793935
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C11H19F2NO/c12-11(13)4-1-9(2-5-11)7-14-6-3-10(15)8-14/h9-10,15H,1-8H2/t10-/m1/s1
InChIKeyOZXKSFLFCVBNEQ-SNVBAGLBSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol (CID 126793935) is (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol is O[C@@H]1CCN(CC2CCC(F)(F)CC2)C1.
What is the InChIKey of (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
The InChIKey is OZXKSFLFCVBNEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-11(13)4-1-9(2-5-11)7-14-6-3-10(15)8-14/h9-10,15H,1-8H2/t10-/m1/s1.
What are the key properties of (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol has a molecular weight of 219.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 126793935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).