1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene

C15H14ClFO — CID 39364379

IUPAC1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene
SMILESFc1ccc([C@H](CCCl)Oc2ccccc2)cc1
InChIInChI=1S/C15H14ClFO/c16-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-1-3-5-14/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyBJTCSLNVFOSKDS-HNNXBMFYSA-N
MW264.73 g/mol
LogP4.57
Rot. Bonds5

About 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene

1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene (PubChem CID 39364379) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene
PubChem CID39364379
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene
SMILESFc1ccc([C@H](CCCl)Oc2ccccc2)cc1
InChIInChI=1S/C15H14ClFO/c16-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-1-3-5-14/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyBJTCSLNVFOSKDS-HNNXBMFYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-phenylbenzene
CID 22225851
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
CID 39380952
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
4-(3-chloro-1-phenylpropoxy)benzoyl chloride
CID 18677834
1-(3-chloro-1-phenylpropoxy)-3-ethylbenzene
CID 112501878
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
1-(3-chloro-1-phenylpropoxy)-2-(trifluoromethyl)benzene
CID 14519553
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene
CID 141001002

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene?
The IUPAC name of 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene (CID 39364379) is 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene?
The canonical SMILES for 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene is Fc1ccc([C@H](CCCl)Oc2ccccc2)cc1.
What is the InChIKey of 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene?
The InChIKey is BJTCSLNVFOSKDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14ClFO/c16-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-1-3-5-14/h1-9,15H,10-11H2/t15-/m0/s1.
What are the key properties of 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene?
1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene has a molecular weight of 264.73 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene is sourced from PubChem (CID 39364379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).