[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid

C9H16F2N2O3 — CID 67501103

IUPAC[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CN(C(CF)CF)CCO1
InChIInChI=1S/C9H16F2N2O3/c1-12(9(14)15)8-6-13(2-3-16-8)7(4-10)5-11/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyZOMRBRFWOJJLPQ-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.56
Rot. Bonds4

About [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid

[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid (PubChem CID 67501103) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid
PubChem CID67501103
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CN(C(CF)CF)CCO1
InChIInChI=1S/C9H16F2N2O3/c1-12(9(14)15)8-6-13(2-3-16-8)7(4-10)5-11/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyZOMRBRFWOJJLPQ-UHFFFAOYSA-N
XLogP0.56
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid?
The IUPAC name of [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid (CID 67501103) is [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid.
What is the SMILES notation for [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid?
The canonical SMILES for [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid is CN(C(=O)O)C1CN(C(CF)CF)CCO1.
What is the InChIKey of [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid?
The InChIKey is ZOMRBRFWOJJLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c1-12(9(14)15)8-6-13(2-3-16-8)7(4-10)5-11/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid?
[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid has a molecular weight of 238.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-methylcarbamic acid is sourced from PubChem (CID 67501103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).