2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine

C10H18F3NO — CID 58468999

IUPAC2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine
SMILESCC(C)C1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3NO/c1-8(2)9-7-14(5-6-15-9)4-3-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyDDJZMNHRBHLGJC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.30
Rot. Bonds3

About 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine

2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine (PubChem CID 58468999) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine.

Molecular Properties

Compound Name2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine
PubChem CID58468999
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine
SMILESCC(C)C1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3NO/c1-8(2)9-7-14(5-6-15-9)4-3-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyDDJZMNHRBHLGJC-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine?
The IUPAC name of 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine (CID 58468999) is 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine.
What is the SMILES notation for 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine?
The canonical SMILES for 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine is CC(C)C1CN(CCC(F)(F)F)CCO1.
What is the InChIKey of 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine?
The InChIKey is DDJZMNHRBHLGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)9-7-14(5-6-15-9)4-3-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine?
2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine has a molecular weight of 225.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine is sourced from PubChem (CID 58468999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).