2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol

C8H16F2N2O — CID 106172930

IUPAC2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCC1CCCN1
InChIInChI=1S/C8H16F2N2O/c9-8(10,6-13)5-11-4-7-2-1-3-12-7/h7,11-13H,1-6H2
InChIKeyYMPZPSNJYPCRCI-UHFFFAOYSA-N
MW194.22 g/mol
LogP-0.04
Rot. Bonds5

About 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol

2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol (PubChem CID 106172930) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
PubChem CID106172930
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCC1CCCN1
InChIInChI=1S/C8H16F2N2O/c9-8(10,6-13)5-11-4-7-2-1-3-12-7/h7,11-13H,1-6H2
InChIKeyYMPZPSNJYPCRCI-UHFFFAOYSA-N
XLogP-0.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(Aminomethyl)pyrrolidin-1-yl]propan-1-ol
CID 58858774
3-(3-Aminopyrrolidin-1-yl)-2,2-difluoropropan-1-ol
CID 163295371
2-[[2-Fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 169812033
2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 171505326
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
CID 172334597
2-[(3,3-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
CID 172335157
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 172335386
2-[(3,3-Difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
CID 176601397
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
CID 176601761
3-[(3-Amino-1,1,1-trifluoropentan-2-yl)-propan-2-ylamino]propan-1-ol
CID 61648152
1-(3-Amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-ol
CID 62943744
3-{[(1-Ethylpyrrolidin-2-yl)methyl]amino}-1,1,1-trifluoropropan-2-ol
CID 63901261

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol (CID 106172930) is 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol is OCC(F)(F)CNCC1CCCN1.
What is the InChIKey of 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
The InChIKey is YMPZPSNJYPCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c9-8(10,6-13)5-11-4-7-2-1-3-12-7/h7,11-13H,1-6H2.
What are the key properties of 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol has a molecular weight of 194.22 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106172930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).