[4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol

C9H16F3NO2 — CID 176871816

IUPAC[4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol
SMILESCC(C)N1C(CO)COCC1C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)13-7(3-14)4-15-5-8(13)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyKOFFVHCAZAFYHC-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds2

About [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol

[4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol (PubChem CID 176871816) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol
PubChem CID176871816
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol
SMILESCC(C)N1C(CO)COCC1C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)13-7(3-14)4-15-5-8(13)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyKOFFVHCAZAFYHC-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylmorpholin-3-yl)methanol
CID 23541157
(S)-4-Methyl-3-(hydroxymethyl)morpholine
CID 58666450
3-Ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 90906273
[4-(2,2,2-Trifluoroethyl)morpholin-3-yl]methanol
CID 116444439
3-(Difluoromethoxymethyl)-4-ethylmorpholine
CID 130226127
3-(Difluoromethoxymethyl)-4-(2,2-dimethylpropyl)morpholine
CID 137419211
3-(Difluoromethoxymethyl)-4-(2-methylpropyl)morpholine
CID 137419274
Ethane;4-methyl-3-(trifluoromethyl)morpholine
CID 142533730
2,2-Difluoro-4-propan-2-ylmorpholine;ethane
CID 145111849
2,2,4,4,4-Pentafluoro-3-morpholin-4-ylbutan-1-ol
CID 145366185
(3R,5R)-3-methyl-4-propan-2-yl-5-(trifluoromethyl)morpholine
CID 169995663
4-Propan-2-ylmorpholine;1,1,1-trifluoroethane
CID 170587275

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol?
The IUPAC name of [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol (CID 176871816) is [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol is CC(C)N1C(CO)COCC1C(F)(F)F.
What is the InChIKey of [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol?
The InChIKey is KOFFVHCAZAFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(2)13-7(3-14)4-15-5-8(13)9(10,11)12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol?
[4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol has a molecular weight of 227.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol is sourced from PubChem (CID 176871816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).