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

C9H16F3NO2 — CID 102935503

IUPAC[6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol
SMILESCC1CN(CCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C9H16F3NO2/c1-7-4-13(3-2-9(10,11)12)5-8(6-14)15-7/h7-8,14H,2-6H2,1H3
InChIKeyKFUGTJWNDMJVRZ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds3

About [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol

[6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol (PubChem CID 102935503) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol
PubChem CID102935503
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol
SMILESCC1CN(CCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C9H16F3NO2/c1-7-4-13(3-2-9(10,11)12)5-8(6-14)15-7/h7-8,14H,2-6H2,1H3
InChIKeyKFUGTJWNDMJVRZ-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol (CID 102935503) is [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol is CC1CN(CCC(F)(F)F)CC(CO)O1.
What is the InChIKey of [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol?
The InChIKey is KFUGTJWNDMJVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7-4-13(3-2-9(10,11)12)5-8(6-14)15-7/h7-8,14H,2-6H2,1H3.
What are the key properties of [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol?
[6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol has a molecular weight of 227.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102935503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).