[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol

C9H17F3N2O2 — CID 103366419

IUPAC[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol
SMILESNCC(CN1CCOC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)7(3-13)4-14-1-2-16-8(5-14)6-15/h7-8,15H,1-6,13H2
InChIKeyICJVJJMVHBUUBV-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.18
Rot. Bonds4

About [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol

[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol (PubChem CID 103366419) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol
PubChem CID103366419
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol
SMILESNCC(CN1CCOC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)7(3-13)4-14-1-2-16-8(5-14)6-15/h7-8,15H,1-6,13H2
InChIKeyICJVJJMVHBUUBV-UHFFFAOYSA-N
XLogP-0.18
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 137944418
1-Piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 65449828
1-(3-Amino-2,2,3,3-tetrafluoropropoxy)-3-morpholin-4-ylpropan-2-ol
CID 89616650
(2R)-1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 126653245
((2S,6S)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343396
((2R,6S)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343502
((2R,6R)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343904
((2S,6R)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343988
[(6R)-6-(trifluoromethyl)morpholin-2-yl]methanol
CID 139358124
[(6S)-6-(trifluoromethyl)morpholin-2-yl]methanol
CID 139359843
[(2S,6R)-6-(difluoromethyl)morpholin-2-yl]methanol
CID 169228668
[(2S,6S)-6-(difluoromethyl)morpholin-2-yl]methanol
CID 169228702

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol (CID 103366419) is [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol is NCC(CN1CCOC(CO)C1)C(F)(F)F.
What is the InChIKey of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol?
The InChIKey is ICJVJJMVHBUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c10-9(11,12)7(3-13)4-14-1-2-16-8(5-14)6-15/h7-8,15H,1-6,13H2.
What are the key properties of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol?
[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol has a molecular weight of 242.24 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol is sourced from PubChem (CID 103366419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).