N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine

C9H20FN — CID 134418774

IUPACN-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine
SMILESCC[C@@H](C)N(C)CC(C)(C)F
InChIInChI=1S/C9H20FN/c1-6-8(2)11(5)7-9(3,4)10/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyJDKJXOVZWMWAKV-MRVPVSSYSA-N
MW161.26 g/mol
LogP2.46
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine

N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine (PubChem CID 134418774) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine
PubChem CID134418774
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC NameN-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine
SMILESCC[C@@H](C)N(C)CC(C)(C)F
InChIInChI=1S/C9H20FN/c1-6-8(2)11(5)7-9(3,4)10/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyJDKJXOVZWMWAKV-MRVPVSSYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine (CID 134418774) is N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine is CC[C@@H](C)N(C)CC(C)(C)F.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine?
The InChIKey is JDKJXOVZWMWAKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20FN/c1-6-8(2)11(5)7-9(3,4)10/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine?
N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-fluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 134418774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).