2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol

C10H20F2N2O — CID 176601761

IUPAC2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1CC(F)(F)CN1
InChIInChI=1S/C10H20F2N2O/c1-8(2)14(3-4-15)6-9-5-10(11,12)7-13-9/h8-9,13,15H,3-7H2,1-2H3
InChIKeyWDCZERNPWVWXBV-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.69
Rot. Bonds5

About 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol

2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 176601761) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
PubChem CID176601761
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1CC(F)(F)CN1
InChIInChI=1S/C10H20F2N2O/c1-8(2)14(3-4-15)6-9-5-10(11,12)7-13-9/h8-9,13,15H,3-7H2,1-2H3
InChIKeyWDCZERNPWVWXBV-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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Related Compounds

[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
CID 74890069
2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176601232
2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601165
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride
CID 121483190
5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
CID 176601096
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]cyclopentan-1-ol
CID 62610119
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol (CID 176601761) is 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CC1CC(F)(F)CN1.
What is the InChIKey of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is WDCZERNPWVWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-8(2)14(3-4-15)6-9-5-10(11,12)7-13-9/h8-9,13,15H,3-7H2,1-2H3.
What are the key properties of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol?
2-[(4,4-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-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 176601761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).