(2S)-1,1-difluoro-4-methylpentan-2-amine

C6H13F2N — CID 130038441

IUPAC(2S)-1,1-difluoro-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)C(F)F
InChIInChI=1S/C6H13F2N/c1-4(2)3-5(9)6(7)8/h4-6H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyIVKWUHURIPNNIS-YFKPBYRVSA-N
MW137.17 g/mol
LogP1.62
Rot. Bonds3

About (2S)-1,1-difluoro-4-methylpentan-2-amine

(2S)-1,1-difluoro-4-methylpentan-2-amine (PubChem CID 130038441) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is (2S)-1,1-difluoro-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1,1-difluoro-4-methylpentan-2-amine
PubChem CID130038441
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC Name(2S)-1,1-difluoro-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)C(F)F
InChIInChI=1S/C6H13F2N/c1-4(2)3-5(9)6(7)8/h4-6H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyIVKWUHURIPNNIS-YFKPBYRVSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-5-methylhexan-2-amine
CID 103759774
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
3-fluoro-5-methylhexan-2-amine
CID 105427778
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
(2S)-1-methoxy-4-methylpentane-1,2-diamine
CID 166706946
5,7-dimethyloctan-4-amine
CID 83047107
3-amino-5-methylhexane-1,2-diol
CID 85255378
(3R)-1,1-difluoro-4-methylpentan-3-amine
CID 58921752
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
(2R)-1,1-difluoro-4-methylpentan-2-ol
CID 171795425

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoro-4-methylpentan-2-amine?
The IUPAC name of (2S)-1,1-difluoro-4-methylpentan-2-amine (CID 130038441) is (2S)-1,1-difluoro-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1,1-difluoro-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1,1-difluoro-4-methylpentan-2-amine is CC(C)C[C@H](N)C(F)F.
What is the InChIKey of (2S)-1,1-difluoro-4-methylpentan-2-amine?
The InChIKey is IVKWUHURIPNNIS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13F2N/c1-4(2)3-5(9)6(7)8/h4-6H,3,9H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1,1-difluoro-4-methylpentan-2-amine?
(2S)-1,1-difluoro-4-methylpentan-2-amine has a molecular weight of 137.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-difluoro-4-methylpentan-2-amine is sourced from PubChem (CID 130038441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).