2-tert-butyl-2-fluoroheptan-1-amine

C11H24FN — CID 112566451

IUPAC2-tert-butyl-2-fluoroheptan-1-amine
SMILESCCCCCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FN/c1-5-6-7-8-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyZYQYKXYNIPWQAD-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.28
Rot. Bonds5

About 2-tert-butyl-2-fluoroheptan-1-amine

2-tert-butyl-2-fluoroheptan-1-amine (PubChem CID 112566451) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-tert-butyl-2-fluoroheptan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-fluoroheptan-1-amine
PubChem CID112566451
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Name2-tert-butyl-2-fluoroheptan-1-amine
SMILESCCCCCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FN/c1-5-6-7-8-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyZYQYKXYNIPWQAD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-2-fluorododecan-1-amine
CID 112566450
2,2-difluorodecan-1-amine
CID 12635530
2,2-dimethyloctan-1-amine
CID 62739423
2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239512
2-methyloctane-1,2-diamine
CID 43519506
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methyltricosan-2-amine;hydrochloride
CID 146444056
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
2-methyl-2-propyldodecan-1-amine
CID 55195079
1,1,1-trifluorohexadecane
CID 15685316
6-butyl-6-fluoroundecane
CID 11424735

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-fluoroheptan-1-amine?
The IUPAC name of 2-tert-butyl-2-fluoroheptan-1-amine (CID 112566451) is 2-tert-butyl-2-fluoroheptan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-fluoroheptan-1-amine?
The canonical SMILES for 2-tert-butyl-2-fluoroheptan-1-amine is CCCCCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-fluoroheptan-1-amine?
The InChIKey is ZYQYKXYNIPWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FN/c1-5-6-7-8-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3.
What are the key properties of 2-tert-butyl-2-fluoroheptan-1-amine?
2-tert-butyl-2-fluoroheptan-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-tert-butyl-2-fluoroheptan-1-amine is sourced from PubChem (CID 112566451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).