2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol

C10H20F2N2O — CID 176601397

IUPAC2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1NCCC1(F)F
InChIInChI=1S/C10H20F2N2O/c1-8(2)14(5-6-15)7-9-10(11,12)3-4-13-9/h8-9,13,15H,3-7H2,1-2H3
InChIKeyMZYISBFWVRLBBG-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.69
Rot. Bonds5

About 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol

2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 176601397) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
PubChem CID176601397
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1NCCC1(F)F
InChIInChI=1S/C10H20F2N2O/c1-8(2)14(5-6-15)7-9-10(11,12)3-4-13-9/h8-9,13,15H,3-7H2,1-2H3
InChIKeyMZYISBFWVRLBBG-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol (CID 176601397) is 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CC1NCCC1(F)F.
What is the InChIKey of 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is MZYISBFWVRLBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-8(2)14(5-6-15)7-9-10(11,12)3-4-13-9/h8-9,13,15H,3-7H2,1-2H3.
What are the key properties of 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 176601397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).