1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene

C11H14FNO — CID 54242734

IUPAC1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene
SMILESCC(C)(CN=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-11(2,8-13-14)7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyQRDKUSYZYGGCJI-UHFFFAOYSA-N
MW195.24 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene

1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene (PubChem CID 54242734) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene
PubChem CID54242734
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene
SMILESCC(C)(CN=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-11(2,8-13-14)7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyQRDKUSYZYGGCJI-UHFFFAOYSA-N
XLogP3.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene?
The IUPAC name of 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene (CID 54242734) is 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene?
The canonical SMILES for 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene is CC(C)(CN=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene?
The InChIKey is QRDKUSYZYGGCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(2,8-13-14)7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene?
1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene has a molecular weight of 195.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene is sourced from PubChem (CID 54242734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).