2-fluoro-5,5-dimethyl-2-propylhexan-1-amine

C11H24FN — CID 112567666

IUPAC2-fluoro-5,5-dimethyl-2-propylhexan-1-amine
SMILESCCCC(F)(CN)CCC(C)(C)C
InChIInChI=1S/C11H24FN/c1-5-6-11(12,9-13)8-7-10(2,3)4/h5-9,13H2,1-4H3
InChIKeyMFBZTTUKKKXSTP-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.28
Rot. Bonds5

About 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine

2-fluoro-5,5-dimethyl-2-propylhexan-1-amine (PubChem CID 112567666) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine.

Molecular Properties

Compound Name2-fluoro-5,5-dimethyl-2-propylhexan-1-amine
PubChem CID112567666
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Name2-fluoro-5,5-dimethyl-2-propylhexan-1-amine
SMILESCCCC(F)(CN)CCC(C)(C)C
InChIInChI=1S/C11H24FN/c1-5-6-11(12,9-13)8-7-10(2,3)4/h5-9,13H2,1-4H3
InChIKeyMFBZTTUKKKXSTP-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-methylpentan-1-amine
CID 84716027
5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine
CID 112567863
2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239512
2-fluoro-5-phenyl-2-propylpentan-1-amine
CID 112567709
bis(2,2-dimethylpentane);methane
CID 159859974
4-ethyl-4-fluoroheptane;propane
CID 171657626
2,2-dimethylpentane;ethane;propane
CID 156751345
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
CID 112567040
2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
CID 112567710
3-(aminomethyl)-3-fluoropentan-1-ol
CID 129135446
2,2-dimethylpentane;2,2-dimethylpropane;ethane;methane
CID 162070166

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine?
The IUPAC name of 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine (CID 112567666) is 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine.
What is the SMILES notation for 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine?
The canonical SMILES for 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine is CCCC(F)(CN)CCC(C)(C)C.
What is the InChIKey of 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine?
The InChIKey is MFBZTTUKKKXSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FN/c1-5-6-11(12,9-13)8-7-10(2,3)4/h5-9,13H2,1-4H3.
What are the key properties of 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine?
2-fluoro-5,5-dimethyl-2-propylhexan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,5-dimethyl-2-propylhexan-1-amine is sourced from PubChem (CID 112567666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).