azane;1-(2,2-dimethylpropyl)-3-fluorobenzene

C11H18FN — CID 174720332

IUPACazane;1-(2,2-dimethylpropyl)-3-fluorobenzene
SMILESCC(C)(C)Cc1cccc(F)c1.N
InChIInChI=1S/C11H15F.H3N/c1-11(2,3)8-9-5-4-6-10(12)7-9;/h4-7H,8H2,1-3H3;1H3
InChIKeyDBOKNWVZEAKILO-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.58
Rot. Bonds1

About azane;1-(2,2-dimethylpropyl)-3-fluorobenzene

azane;1-(2,2-dimethylpropyl)-3-fluorobenzene (PubChem CID 174720332) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is azane;1-(2,2-dimethylpropyl)-3-fluorobenzene.

Molecular Properties

Compound Nameazane;1-(2,2-dimethylpropyl)-3-fluorobenzene
PubChem CID174720332
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Nameazane;1-(2,2-dimethylpropyl)-3-fluorobenzene
SMILESCC(C)(C)Cc1cccc(F)c1.N
InChIInChI=1S/C11H15F.H3N/c1-11(2,3)8-9-5-4-6-10(12)7-9;/h4-7H,8H2,1-3H3;1H3
InChIKeyDBOKNWVZEAKILO-UHFFFAOYSA-N
XLogP3.58
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-3,5-difluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;2,2,4-trimethylpentane
CID 159544928
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
1-[2-(chloromethyl)-2-methylbut-3-enyl]-3-fluorobenzene
CID 102642071
2-(5-fluoro-2-methylphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833350
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091

Frequently Asked Questions

What is the IUPAC name of azane;1-(2,2-dimethylpropyl)-3-fluorobenzene?
The IUPAC name of azane;1-(2,2-dimethylpropyl)-3-fluorobenzene (CID 174720332) is azane;1-(2,2-dimethylpropyl)-3-fluorobenzene.
What is the SMILES notation for azane;1-(2,2-dimethylpropyl)-3-fluorobenzene?
The canonical SMILES for azane;1-(2,2-dimethylpropyl)-3-fluorobenzene is CC(C)(C)Cc1cccc(F)c1.N.
What is the InChIKey of azane;1-(2,2-dimethylpropyl)-3-fluorobenzene?
The InChIKey is DBOKNWVZEAKILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.H3N/c1-11(2,3)8-9-5-4-6-10(12)7-9;/h4-7H,8H2,1-3H3;1H3.
What are the key properties of azane;1-(2,2-dimethylpropyl)-3-fluorobenzene?
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene has a molecular weight of 183.27 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(2,2-dimethylpropyl)-3-fluorobenzene is sourced from PubChem (CID 174720332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).