N-(fluoromethyl)-N-propan-2-ylpropan-2-amine

C7H16FN — CID 118669674

IUPACN-(fluoromethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CF)C(C)C
InChIInChI=1S/C7H16FN/c1-6(2)9(5-8)7(3)4/h6-7H,5H2,1-4H3
InChIKeyFRSPHXSLXCRIFE-UHFFFAOYSA-N
MW133.21 g/mol
LogP2.03
Rot. Bonds3

About N-(fluoromethyl)-N-propan-2-ylpropan-2-amine

N-(fluoromethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 118669674) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is N-(fluoromethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-N-propan-2-ylpropan-2-amine
PubChem CID118669674
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC NameN-(fluoromethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CF)C(C)C
InChIInChI=1S/C7H16FN/c1-6(2)9(5-8)7(3)4/h6-7H,5H2,1-4H3
InChIKeyFRSPHXSLXCRIFE-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
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-(fluoromethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(fluoromethyl)-N-propan-2-ylpropan-2-amine (CID 118669674) is N-(fluoromethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(fluoromethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(fluoromethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CF)C(C)C.
What is the InChIKey of N-(fluoromethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is FRSPHXSLXCRIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-6(2)9(5-8)7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of N-(fluoromethyl)-N-propan-2-ylpropan-2-amine?
N-(fluoromethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 133.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 118669674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).