[1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol

C7H14F2N2O — CID 121204063

IUPAC[1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESNCCN1CC(F)(F)CC1CO
InChIInChI=1S/C7H14F2N2O/c8-7(9)3-6(4-12)11(5-7)2-1-10/h6,12H,1-5,10H2
InChIKeyIAKYMXWMMXZJTE-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.35
Rot. Bonds3

About [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol

[1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 121204063) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol
PubChem CID121204063
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name[1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESNCCN1CC(F)(F)CC1CO
InChIInChI=1S/C7H14F2N2O/c8-7(9)3-6(4-12)11(5-7)2-1-10/h6,12H,1-5,10H2
InChIKeyIAKYMXWMMXZJTE-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol (CID 121204063) is [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol is NCCN1CC(F)(F)CC1CO.
What is the InChIKey of [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol?
The InChIKey is IAKYMXWMMXZJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c8-7(9)3-6(4-12)11(5-7)2-1-10/h6,12H,1-5,10H2.
What are the key properties of [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol?
[1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 180.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 121204063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).