4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol

C11H19F2NO — CID 116991616

IUPAC4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2NO/c12-11(13)5-6-14(8-11)7-9-1-3-10(15)4-2-9/h9-10,15H,1-8H2
InChIKeyDDOXPQAXKGRRTG-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.88
Rot. Bonds2

About 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol

4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 116991616) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID116991616
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2NO/c12-11(13)5-6-14(8-11)7-9-1-3-10(15)4-2-9/h9-10,15H,1-8H2
InChIKeyDDOXPQAXKGRRTG-UHFFFAOYSA-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

Analyze 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
CID 105436251
2,2-Difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 105437944
1,1-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 105437953
3,3-Difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
CID 105446946
4-[(2,2,2-Trifluoroethylamino)methyl]cyclohexan-1-ol
CID 106133061
4-[(4,4,4-Trifluorobutylamino)methyl]cyclohexan-1-ol
CID 106133219
4-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 106133222
4-[(2,2-Difluoroethylamino)methyl]cyclohexan-1-ol
CID 106133322
1-Cyclohexyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanol
CID 113797173
3-[1-[(3,3-Difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 114225045
1-[1-[(3,3-Difluorocyclohexyl)methyl]pyrrolidin-3-yl]ethanol
CID 114225051
[1-[(3,3-Difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 114225058

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol (CID 116991616) is 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol is OC1CCC(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is DDOXPQAXKGRRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-11(13)5-6-14(8-11)7-9-1-3-10(15)4-2-9/h9-10,15H,1-8H2.
What are the key properties of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol?
4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-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 4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116991616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).