2-tert-butyl-2-fluorododecan-1-amine

C16H34FN — CID 112566450

IUPAC2-tert-butyl-2-fluorododecan-1-amine
SMILESCCCCCCCCCCC(F)(CN)C(C)(C)C
InChIInChI=1S/C16H34FN/c1-5-6-7-8-9-10-11-12-13-16(17,14-18)15(2,3)4/h5-14,18H2,1-4H3
InChIKeyCYGJFAMBFISOOM-UHFFFAOYSA-N
MW259.45 g/mol
LogP5.23
Rot. Bonds10

About 2-tert-butyl-2-fluorododecan-1-amine

2-tert-butyl-2-fluorododecan-1-amine (PubChem CID 112566450) has the molecular formula C16H34FN and a molecular weight of 259.45 g/mol. Its IUPAC name is 2-tert-butyl-2-fluorododecan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-fluorododecan-1-amine
PubChem CID112566450
Molecular FormulaC16H34FN
Molecular Weight259.45 g/mol
Exact Mass259.27
IUPAC Name2-tert-butyl-2-fluorododecan-1-amine
SMILESCCCCCCCCCCC(F)(CN)C(C)(C)C
InChIInChI=1S/C16H34FN/c1-5-6-7-8-9-10-11-12-13-16(17,14-18)15(2,3)4/h5-14,18H2,1-4H3
InChIKeyCYGJFAMBFISOOM-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.45
LogP ≤ 55.23
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-fluoroheptan-1-amine
CID 112566451
2,2-difluorodecan-1-amine
CID 12635530
2,2-dimethyloctan-1-amine
CID 62739423
2-methyloctane-1,2-diamine
CID 43519506
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methyl-2-propyldodecan-1-amine
CID 55195079
1,1,1-trifluorohexadecane
CID 15685316
10-tert-butylnonadecan-10-amine
CID 20837586
4,4-dimethyltridecan-1-amine
CID 172686024
2-octyldecane-1,2-diamine
CID 88831195

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-fluorododecan-1-amine?
The IUPAC name of 2-tert-butyl-2-fluorododecan-1-amine (CID 112566450) is 2-tert-butyl-2-fluorododecan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-fluorododecan-1-amine?
The canonical SMILES for 2-tert-butyl-2-fluorododecan-1-amine is CCCCCCCCCCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-fluorododecan-1-amine?
The InChIKey is CYGJFAMBFISOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34FN/c1-5-6-7-8-9-10-11-12-13-16(17,14-18)15(2,3)4/h5-14,18H2,1-4H3.
What are the key properties of 2-tert-butyl-2-fluorododecan-1-amine?
2-tert-butyl-2-fluorododecan-1-amine has a molecular weight of 259.45 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-fluorododecan-1-amine is sourced from PubChem (CID 112566450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).