carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol

C12H19F2NO4 — CID 144705849

IUPACcarbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol
SMILESCCCc1c(F)cccc1F.COCO.NC(=O)O
InChIInChI=1S/C9H10F2.C2H6O2.CH3NO2/c1-2-4-7-8(10)5-3-6-9(7)11;1-4-2-3;2-1(3)4/h3,5-6H,2,4H2,1H3;3H,2H2,1H3;2H2,(H,3,4)
InChIKeyAYGFLBYMVQLASI-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.12
Rot. Bonds3

About carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol

carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol (PubChem CID 144705849) has the molecular formula C12H19F2NO4 and a molecular weight of 279.28 g/mol. Its IUPAC name is carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol.

Molecular Properties

Compound Namecarbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol
PubChem CID144705849
Molecular FormulaC12H19F2NO4
Molecular Weight279.28 g/mol
Exact Mass279.13
IUPAC Namecarbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol
SMILESCCCc1c(F)cccc1F.COCO.NC(=O)O
InChIInChI=1S/C9H10F2.C2H6O2.CH3NO2/c1-2-4-7-8(10)5-3-6-9(7)11;1-4-2-3;2-1(3)4/h3,5-6H,2,4H2,1H3;3H,2H2,1H3;2H2,(H,3,4)
InChIKeyAYGFLBYMVQLASI-UHFFFAOYSA-N
XLogP2.12
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol?
The IUPAC name of carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol (CID 144705849) is carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol.
What is the SMILES notation for carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol?
The canonical SMILES for carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol is CCCc1c(F)cccc1F.COCO.NC(=O)O.
What is the InChIKey of carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol?
The InChIKey is AYGFLBYMVQLASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C2H6O2.CH3NO2/c1-2-4-7-8(10)5-3-6-9(7)11;1-4-2-3;2-1(3)4/h3,5-6H,2,4H2,1H3;3H,2H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol?
carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol has a molecular weight of 279.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol is sourced from PubChem (CID 144705849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).