(3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol

C11H20F2N4O — CID 57238064

IUPAC(3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol
SMILES[N-]=[N+]=NCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H20F2N4O/c12-11(13,7-16-17-15)10(18)9(14)6-8-4-2-1-3-5-8/h8-10,18H,1-7,14H2/t9-,10+/m0/s1
InChIKeyGJXUXUYLRZSCEX-VHSXEESVSA-N
MW262.30 g/mol
LogP2.59
Rot. Bonds6

About (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol

(3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol (PubChem CID 57238064) has the molecular formula C11H20F2N4O and a molecular weight of 262.30 g/mol. Its IUPAC name is (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol
PubChem CID57238064
Molecular FormulaC11H20F2N4O
Molecular Weight262.30 g/mol
Exact Mass262.16
IUPAC Name(3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol
SMILES[N-]=[N+]=NCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H20F2N4O/c12-11(13,7-16-17-15)10(18)9(14)6-8-4-2-1-3-5-8/h8-10,18H,1-7,14H2/t9-,10+/m0/s1
InChIKeyGJXUXUYLRZSCEX-VHSXEESVSA-N
XLogP2.59
TPSA95.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol?
The IUPAC name of (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol (CID 57238064) is (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol.
What is the SMILES notation for (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol?
The canonical SMILES for (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol is [N-]=[N+]=NCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol?
The InChIKey is GJXUXUYLRZSCEX-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20F2N4O/c12-11(13,7-16-17-15)10(18)9(14)6-8-4-2-1-3-5-8/h8-10,18H,1-7,14H2/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol?
(3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol has a molecular weight of 262.30 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol is sourced from PubChem (CID 57238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).