1-[(1R)-1-azidopropyl]-2-fluorobenzene

C9H10FN3 — CID 104853505

IUPAC1-[(1R)-1-azidopropyl]-2-fluorobenzene
SMILESCC[C@@H](N=[N+]=[N-])c1ccccc1F
InChIInChI=1S/C9H10FN3/c1-2-9(12-13-11)7-5-3-4-6-8(7)10/h3-6,9H,2H2,1H3/t9-/m1/s1
InChIKeyDHXBKHGWRSBFDQ-SECBINFHSA-N
MW179.20 g/mol
LogP3.59
Rot. Bonds3

About 1-[(1R)-1-azidopropyl]-2-fluorobenzene

1-[(1R)-1-azidopropyl]-2-fluorobenzene (PubChem CID 104853505) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-[(1R)-1-azidopropyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[(1R)-1-azidopropyl]-2-fluorobenzene
PubChem CID104853505
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name1-[(1R)-1-azidopropyl]-2-fluorobenzene
SMILESCC[C@@H](N=[N+]=[N-])c1ccccc1F
InChIInChI=1S/C9H10FN3/c1-2-9(12-13-11)7-5-3-4-6-8(7)10/h3-6,9H,2H2,1H3/t9-/m1/s1
InChIKeyDHXBKHGWRSBFDQ-SECBINFHSA-N
XLogP3.59
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(1-azidobutyl)-2-(trifluoromethyl)benzene
CID 91482298
1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 102551040
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-[(1R)-1-azidopropyl]-3-methylbenzene
CID 130543467
1-(2-bromo-1-pentan-3-yloxyethyl)-2-fluorobenzene
CID 165489553
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
(1-azido-2-chloroethyl)benzene
CID 13032303
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-azidopropyl]-2-fluorobenzene?
The IUPAC name of 1-[(1R)-1-azidopropyl]-2-fluorobenzene (CID 104853505) is 1-[(1R)-1-azidopropyl]-2-fluorobenzene.
What is the SMILES notation for 1-[(1R)-1-azidopropyl]-2-fluorobenzene?
The canonical SMILES for 1-[(1R)-1-azidopropyl]-2-fluorobenzene is CC[C@@H](N=[N+]=[N-])c1ccccc1F.
What is the InChIKey of 1-[(1R)-1-azidopropyl]-2-fluorobenzene?
The InChIKey is DHXBKHGWRSBFDQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H10FN3/c1-2-9(12-13-11)7-5-3-4-6-8(7)10/h3-6,9H,2H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-azidopropyl]-2-fluorobenzene?
1-[(1R)-1-azidopropyl]-2-fluorobenzene has a molecular weight of 179.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-azidopropyl]-2-fluorobenzene is sourced from PubChem (CID 104853505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).