[4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol

C10H19F3N2O2 — CID 102932256

IUPAC[4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(C(CCN)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C10H19F3N2O2/c1-7-4-15(5-8(6-16)17-7)9(2-3-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyGNPWMZKBMLYSTJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.35
Rot. Bonds4

About [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol

[4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102932256) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol
PubChem CID102932256
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name[4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(C(CCN)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C10H19F3N2O2/c1-7-4-15(5-8(6-16)17-7)9(2-3-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyGNPWMZKBMLYSTJ-UHFFFAOYSA-N
XLogP0.35
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol
CID 141395737
1-(4-Amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol
CID 156712652
1-[3-Fluoro-4-(methylamino)piperidin-1-yl]-3-methoxypropan-2-ol
CID 169631876
3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol
CID 169631878
1-[(3S,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-3-methoxypropan-2-ol
CID 169632614
1-[(3R,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-3-methoxypropan-2-ol
CID 169632617
1-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol
CID 169633733
2-[2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol
CID 43771497
1-[(4-Amino-1,1,1-trifluorobutan-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 61580218
1-Methoxy-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-2-ol
CID 64284537
2-[2-[Piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 64850425
3-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol
CID 66175262

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol (CID 102932256) is [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol is CC1CN(C(CCN)C(F)(F)F)CC(CO)O1.
What is the InChIKey of [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is GNPWMZKBMLYSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7-4-15(5-8(6-16)17-7)9(2-3-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3.
What are the key properties of [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol?
[4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 256.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).