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

C9H16F2N2O3 — CID 67501102

IUPAC[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1CN(C(CF)CF)CCO1
InChIInChI=1S/C9H16F2N2O3/c10-3-7(4-11)13-1-2-16-8(6-13)5-12-9(14)15/h7-8,12H,1-6H2,(H,14,15)
InChIKeyGWLPROOMUDUUDR-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.26
Rot. Bonds5

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 67501102) 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 CID67501102
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1CN(C(CF)CF)CCO1
InChIInChI=1S/C9H16F2N2O3/c10-3-7(4-11)13-1-2-16-8(6-13)5-12-9(14)15/h7-8,12H,1-6H2,(H,14,15)
InChIKeyGWLPROOMUDUUDR-UHFFFAOYSA-N
XLogP0.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
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 67501102) 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 O=C(O)NCC1CN(C(CF)CF)CCO1.
What is the InChIKey of [4-(1,3-difluoropropan-2-yl)morpholin-2-yl]methylcarbamic acid?
The InChIKey is GWLPROOMUDUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c10-3-7(4-11)13-1-2-16-8(6-13)5-12-9(14)15/h7-8,12H,1-6H2,(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 0.26, 5 rotatable bonds, 2 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 67501102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).