(4S)-1-azido-4-fluoropentane

C5H10FN3 — CID 134547070

IUPAC(4S)-1-azido-4-fluoropentane
SMILESC[C@H](F)CCCN=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-5(6)3-2-4-8-9-7/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyTZFVCGRFUUJDRS-YFKPBYRVSA-N
MW131.15 g/mol
LogP2.43
Rot. Bonds4

About (4S)-1-azido-4-fluoropentane

(4S)-1-azido-4-fluoropentane (PubChem CID 134547070) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is (4S)-1-azido-4-fluoropentane.

Molecular Properties

Compound Name(4S)-1-azido-4-fluoropentane
PubChem CID134547070
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name(4S)-1-azido-4-fluoropentane
SMILESC[C@H](F)CCCN=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-5(6)3-2-4-8-9-7/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyTZFVCGRFUUJDRS-YFKPBYRVSA-N
XLogP2.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (4S)-1-azido-4-fluoropentane?
The IUPAC name of (4S)-1-azido-4-fluoropentane (CID 134547070) is (4S)-1-azido-4-fluoropentane.
What is the SMILES notation for (4S)-1-azido-4-fluoropentane?
The canonical SMILES for (4S)-1-azido-4-fluoropentane is C[C@H](F)CCCN=[N+]=[N-].
What is the InChIKey of (4S)-1-azido-4-fluoropentane?
The InChIKey is TZFVCGRFUUJDRS-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10FN3/c1-5(6)3-2-4-8-9-7/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (4S)-1-azido-4-fluoropentane?
(4S)-1-azido-4-fluoropentane has a molecular weight of 131.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-azido-4-fluoropentane is sourced from PubChem (CID 134547070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).