(2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol

C6H13F2NO — CID 177117884

IUPAC(2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol
SMILESCC(C)C(F)(F)[C@@H](N)CO
InChIInChI=1S/C6H13F2NO/c1-4(2)6(7,8)5(9)3-10/h4-5,10H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyUVBSFBZWBCVPIS-YFKPBYRVSA-N
MW153.17 g/mol
LogP0.60
Rot. Bonds3

About (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol

(2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol (PubChem CID 177117884) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol
PubChem CID177117884
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name(2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol
SMILESCC(C)C(F)(F)[C@@H](N)CO
InChIInChI=1S/C6H13F2NO/c1-4(2)6(7,8)5(9)3-10/h4-5,10H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyUVBSFBZWBCVPIS-YFKPBYRVSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol (CID 177117884) is (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol is CC(C)C(F)(F)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol?
The InChIKey is UVBSFBZWBCVPIS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-4(2)6(7,8)5(9)3-10/h4-5,10H,3,9H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol?
(2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol has a molecular weight of 153.17 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol is sourced from PubChem (CID 177117884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).