4-(2,2-difluoropropyl)morpholine

C7H13F2NO — CID 91007241

IUPAC4-(2,2-difluoropropyl)morpholine
SMILESCC(F)(F)CN1CCOCC1
InChIInChI=1S/C7H13F2NO/c1-7(8,9)6-10-2-4-11-5-3-10/h2-6H2,1H3
InChIKeyDNLVQDJDCKRXNP-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.97
Rot. Bonds2

About 4-(2,2-difluoropropyl)morpholine

4-(2,2-difluoropropyl)morpholine (PubChem CID 91007241) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)morpholine.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)morpholine
PubChem CID91007241
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-(2,2-difluoropropyl)morpholine
SMILESCC(F)(F)CN1CCOCC1
InChIInChI=1S/C7H13F2NO/c1-7(8,9)6-10-2-4-11-5-3-10/h2-6H2,1H3
InChIKeyDNLVQDJDCKRXNP-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)morpholine?
The IUPAC name of 4-(2,2-difluoropropyl)morpholine (CID 91007241) is 4-(2,2-difluoropropyl)morpholine.
What is the SMILES notation for 4-(2,2-difluoropropyl)morpholine?
The canonical SMILES for 4-(2,2-difluoropropyl)morpholine is CC(F)(F)CN1CCOCC1.
What is the InChIKey of 4-(2,2-difluoropropyl)morpholine?
The InChIKey is DNLVQDJDCKRXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-7(8,9)6-10-2-4-11-5-3-10/h2-6H2,1H3.
What are the key properties of 4-(2,2-difluoropropyl)morpholine?
4-(2,2-difluoropropyl)morpholine has a molecular weight of 165.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)morpholine is sourced from PubChem (CID 91007241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).