(2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol

C6H12F3NO — CID 142165625

IUPAC(2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol
SMILESCC(C[C@H](N)C(O)F)C(F)F
InChIInChI=1S/C6H12F3NO/c1-3(5(7)8)2-4(10)6(9)11/h3-6,11H,2,10H2,1H3/t3?,4-,6?/m0/s1
InChIKeyDCNFGADNHJAGEM-ZSGNRXJESA-N
MW171.16 g/mol
LogP0.89
Rot. Bonds4

About (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol

(2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol (PubChem CID 142165625) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol
PubChem CID142165625
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol
SMILESCC(C[C@H](N)C(O)F)C(F)F
InChIInChI=1S/C6H12F3NO/c1-3(5(7)8)2-4(10)6(9)11/h3-6,11H,2,10H2,1H3/t3?,4-,6?/m0/s1
InChIKeyDCNFGADNHJAGEM-ZSGNRXJESA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol (CID 142165625) is (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol is CC(C[C@H](N)C(O)F)C(F)F.
What is the InChIKey of (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol?
The InChIKey is DCNFGADNHJAGEM-ZSGNRXJESA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3(5(7)8)2-4(10)6(9)11/h3-6,11H,2,10H2,1H3/t3?,4-,6?/m0/s1.
What are the key properties of (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol?
(2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol has a molecular weight of 171.16 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol is sourced from PubChem (CID 142165625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).