1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol

C11H22F2N2O2 — CID 114093466

IUPAC1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol
SMILESCC(C)N1CCOC(CNCC(O)C(F)F)C1
InChIInChI=1S/C11H22F2N2O2/c1-8(2)15-3-4-17-9(7-15)5-14-6-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyJVHRXFKIIZVVFV-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.31
Rot. Bonds6

About 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol

1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol (PubChem CID 114093466) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol
PubChem CID114093466
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Name1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol
SMILESCC(C)N1CCOC(CNCC(O)C(F)F)C1
InChIInChI=1S/C11H22F2N2O2/c1-8(2)15-3-4-17-9(7-15)5-14-6-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyJVHRXFKIIZVVFV-UHFFFAOYSA-N
XLogP0.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-(Methylamino)-3-(morpholin-4-yl)propan-2-ol
CID 4001215
1-Amino-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 16788372
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
(4-(1,3-Difluoropropan-2-yl)morpholin-2-yl)methanamine
CID 67126662
1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol
CID 71080624
3-[[1-[3-(Tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol
CID 134533548
N-[[4-(2-fluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 156334456
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]-2-methylpropan-2-amine
CID 159141091
2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424213
2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424247
2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424386
N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166684020

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol (CID 114093466) is 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol is CC(C)N1CCOC(CNCC(O)C(F)F)C1.
What is the InChIKey of 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol?
The InChIKey is JVHRXFKIIZVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-8(2)15-3-4-17-9(7-15)5-14-6-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol has a molecular weight of 252.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 114093466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).