(3S)-2,2-difluoro-4-methylpentan-3-amine

C6H13F2N — CID 84648303

IUPAC(3S)-2,2-difluoro-4-methylpentan-3-amine
SMILESCC(C)[C@H](N)C(C)(F)F
InChIInChI=1S/C6H13F2N/c1-4(2)5(9)6(3,7)8/h4-5H,9H2,1-3H3/t5-/m0/s1
InChIKeySQROQGOXMOOXMA-YFKPBYRVSA-N
MW137.17 g/mol
LogP1.62
Rot. Bonds2

About (3S)-2,2-difluoro-4-methylpentan-3-amine

(3S)-2,2-difluoro-4-methylpentan-3-amine (PubChem CID 84648303) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is (3S)-2,2-difluoro-4-methylpentan-3-amine.

Molecular Properties

Compound Name(3S)-2,2-difluoro-4-methylpentan-3-amine
PubChem CID84648303
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC Name(3S)-2,2-difluoro-4-methylpentan-3-amine
SMILESCC(C)[C@H](N)C(C)(F)F
InChIInChI=1S/C6H13F2N/c1-4(2)5(9)6(3,7)8/h4-5H,9H2,1-3H3/t5-/m0/s1
InChIKeySQROQGOXMOOXMA-YFKPBYRVSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-difluoro-4-methylpentan-3-amine?
The IUPAC name of (3S)-2,2-difluoro-4-methylpentan-3-amine (CID 84648303) is (3S)-2,2-difluoro-4-methylpentan-3-amine.
What is the SMILES notation for (3S)-2,2-difluoro-4-methylpentan-3-amine?
The canonical SMILES for (3S)-2,2-difluoro-4-methylpentan-3-amine is CC(C)[C@H](N)C(C)(F)F.
What is the InChIKey of (3S)-2,2-difluoro-4-methylpentan-3-amine?
The InChIKey is SQROQGOXMOOXMA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13F2N/c1-4(2)5(9)6(3,7)8/h4-5H,9H2,1-3H3/t5-/m0/s1.
What are the key properties of (3S)-2,2-difluoro-4-methylpentan-3-amine?
(3S)-2,2-difluoro-4-methylpentan-3-amine has a molecular weight of 137.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-difluoro-4-methylpentan-3-amine is sourced from PubChem (CID 84648303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).