[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol

C9H17F3N2O — CID 103366442

IUPAC[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol
SMILESNCC(CN1CCC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(3-13)5-14-2-1-7(4-14)6-15/h7-8,15H,1-6,13H2
InChIKeyAILTWGBMHMTYGO-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.44
Rot. Bonds4

About [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol

[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol (PubChem CID 103366442) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol
PubChem CID103366442
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol
SMILESNCC(CN1CCC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(3-13)5-14-2-1-7(4-14)6-15/h7-8,15H,1-6,13H2
InChIKeyAILTWGBMHMTYGO-UHFFFAOYSA-N
XLogP0.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
CID 70207388
[4-(Trifluoromethyl)pyrrolidin-3-yl]methanol
CID 22911441
((3R,4R)-4-(Trifluoromethyl)pyrrolidin-3-yl)methanol
CID 53817071
(4,4-Difluoropyrrolidin-3-yl)methanol
CID 84072741
(4,4-Difluoropyrrolidin-3-yl)methanol hydrochloride
CID 84717503
[3-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-yl]methanol
CID 117706300
(2,2-Difluoropyrrolidin-3-yl)methanol
CID 123518217
Ethane;[4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 141826036
Ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane
CID 143016284
(4,4-Difluoropyrrolidin-3-yl)methanol;ethane
CID 167499343
[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]methanol
CID 64567803
2,2-Dimethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propan-1-ol
CID 81411236

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol (CID 103366442) is [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol is NCC(CN1CCC(CO)C1)C(F)(F)F.
What is the InChIKey of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol?
The InChIKey is AILTWGBMHMTYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8(3-13)5-14-2-1-7(4-14)6-15/h7-8,15H,1-6,13H2.
What are the key properties of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol?
[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 103366442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).