carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol

C12H20FNO4 — CID 144705845

IUPACcarbamic acid;1-fluoro-2-propylbenzene;methoxymethanol
SMILESCCCc1ccccc1F.COCO.NC(=O)O
InChIInChI=1S/C9H11F.C2H6O2.CH3NO2/c1-2-5-8-6-3-4-7-9(8)10;1-4-2-3;2-1(3)4/h3-4,6-7H,2,5H2,1H3;3H,2H2,1H3;2H2,(H,3,4)
InChIKeyNFCPBAAZRJJDTK-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.98
Rot. Bonds3

About carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol

carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol (PubChem CID 144705845) has the molecular formula C12H20FNO4 and a molecular weight of 261.29 g/mol. Its IUPAC name is carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol.

Molecular Properties

Compound Namecarbamic acid;1-fluoro-2-propylbenzene;methoxymethanol
PubChem CID144705845
Molecular FormulaC12H20FNO4
Molecular Weight261.29 g/mol
Exact Mass261.14
IUPAC Namecarbamic acid;1-fluoro-2-propylbenzene;methoxymethanol
SMILESCCCc1ccccc1F.COCO.NC(=O)O
InChIInChI=1S/C9H11F.C2H6O2.CH3NO2/c1-2-5-8-6-3-4-7-9(8)10;1-4-2-3;2-1(3)4/h3-4,6-7H,2,5H2,1H3;3H,2H2,1H3;2H2,(H,3,4)
InChIKeyNFCPBAAZRJJDTK-UHFFFAOYSA-N
XLogP1.98
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.98
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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Related Compounds

carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol
CID 144705849
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-O-butyl 4-O-[2-(2-fluorophenyl)ethyl] butanedioate
CID 91711418
3-(2-fluorophenyl)propanoic acid
CID 2063866
2-(2-propylphenyl)acetic acid
CID 46897017
4-O-[2-(2-fluorophenyl)ethyl] 1-O-hexadecyl butanedioate
CID 91711428
4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
CID 91735547
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
2-(2-fluorophenyl)-1-(4-propylphenyl)ethanone
CID 43338005
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621

Frequently Asked Questions

What is the IUPAC name of carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol?
The IUPAC name of carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol (CID 144705845) is carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol.
What is the SMILES notation for carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol?
The canonical SMILES for carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol is CCCc1ccccc1F.COCO.NC(=O)O.
What is the InChIKey of carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol?
The InChIKey is NFCPBAAZRJJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C2H6O2.CH3NO2/c1-2-5-8-6-3-4-7-9(8)10;1-4-2-3;2-1(3)4/h3-4,6-7H,2,5H2,1H3;3H,2H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol?
carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol has a molecular weight of 261.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1-fluoro-2-propylbenzene;methoxymethanol is sourced from PubChem (CID 144705845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).