N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine

C7H16FN — CID 170398047

IUPACN-(2-fluoropropan-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(C)NC(C)(C)F
InChIInChI=1S/C7H16FN/c1-6(2,3)9-7(4,5)8/h9H,1-5H3
InChIKeyGDWOLXYBRBYVFG-UHFFFAOYSA-N
MW133.21 g/mol
LogP2.08
Rot. Bonds1

About N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine

N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine (PubChem CID 170398047) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoropropan-2-yl)-2-methylpropan-2-amine
PubChem CID170398047
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC NameN-(2-fluoropropan-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(C)NC(C)(C)F
InChIInChI=1S/C7H16FN/c1-6(2,3)9-7(4,5)8/h9H,1-5H3
InChIKeyGDWOLXYBRBYVFG-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine (CID 170398047) is N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine is CC(C)(C)NC(C)(C)F.
What is the InChIKey of N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine?
The InChIKey is GDWOLXYBRBYVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-6(2,3)9-7(4,5)8/h9H,1-5H3.
What are the key properties of N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine?
N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine has a molecular weight of 133.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 170398047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).