[1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol

C13H23F2NO — CID 131921117

IUPAC[1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol
SMILESCN(CCC1CC1(F)F)CC1(CO)CCCC1
InChIInChI=1S/C13H23F2NO/c1-16(7-4-11-8-13(11,14)15)9-12(10-17)5-2-3-6-12/h11,17H,2-10H2,1H3
InChIKeyDQYSIUDIMYAWHN-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.52
Rot. Bonds6

About [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol

[1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol (PubChem CID 131921117) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol
PubChem CID131921117
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name[1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol
SMILESCN(CCC1CC1(F)F)CC1(CO)CCCC1
InChIInChI=1S/C13H23F2NO/c1-16(7-4-11-8-13(11,14)15)9-12(10-17)5-2-3-6-12/h11,17H,2-10H2,1H3
InChIKeyDQYSIUDIMYAWHN-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol (CID 131921117) is [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol is CN(CCC1CC1(F)F)CC1(CO)CCCC1.
What is the InChIKey of [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol?
The InChIKey is DQYSIUDIMYAWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-16(7-4-11-8-13(11,14)15)9-12(10-17)5-2-3-6-12/h11,17H,2-10H2,1H3.
What are the key properties of [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol?
[1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol has a molecular weight of 247.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2,2-difluorocyclopropyl)ethyl-methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 131921117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).