(2S)-5-(ethylamino)-1,1-difluoropentan-2-ol

C7H15F2NO — CID 143016302

IUPAC(2S)-5-(ethylamino)-1,1-difluoropentan-2-ol
SMILESCCNCCC[C@H](O)C(F)F
InChIInChI=1S/C7H15F2NO/c1-2-10-5-3-4-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3/t6-/m0/s1
InChIKeyGVWVKQAWWDQZQB-LURJTMIESA-N
MW167.20 g/mol
LogP1.00
Rot. Bonds6

About (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol

(2S)-5-(ethylamino)-1,1-difluoropentan-2-ol (PubChem CID 143016302) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol.

Molecular Properties

Compound Name(2S)-5-(ethylamino)-1,1-difluoropentan-2-ol
PubChem CID143016302
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name(2S)-5-(ethylamino)-1,1-difluoropentan-2-ol
SMILESCCNCCC[C@H](O)C(F)F
InChIInChI=1S/C7H15F2NO/c1-2-10-5-3-4-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3/t6-/m0/s1
InChIKeyGVWVKQAWWDQZQB-LURJTMIESA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol?
The IUPAC name of (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol (CID 143016302) is (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol.
What is the SMILES notation for (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol?
The canonical SMILES for (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol is CCNCCC[C@H](O)C(F)F.
What is the InChIKey of (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol?
The InChIKey is GVWVKQAWWDQZQB-LURJTMIESA-N. The full InChI is InChI=1S/C7H15F2NO/c1-2-10-5-3-4-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol?
(2S)-5-(ethylamino)-1,1-difluoropentan-2-ol has a molecular weight of 167.20 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(ethylamino)-1,1-difluoropentan-2-ol is sourced from PubChem (CID 143016302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).