N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine

C12H26FN — CID 107446549

IUPACN-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCC(F)CNC(C)(C)C
InChIInChI=1S/C12H26FN/c1-11(2,3)8-7-10(13)9-14-12(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyQFCDTHLYHHFYIL-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.54
Rot. Bonds4

About N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine

N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine (PubChem CID 107446549) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine
PubChem CID107446549
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC NameN-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCC(F)CNC(C)(C)C
InChIInChI=1S/C12H26FN/c1-11(2,3)8-7-10(13)9-14-12(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyQFCDTHLYHHFYIL-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine (CID 107446549) is N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine is CC(C)(C)CCC(F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine?
The InChIKey is QFCDTHLYHHFYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN/c1-11(2,3)8-7-10(13)9-14-12(4,5)6/h10,14H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine?
N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 107446549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).