1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene

C15H16ClFO — CID 81326053

IUPAC1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene
SMILESFc1cc(C#CCCl)cc(OC2CCCCC2)c1
InChIInChI=1S/C15H16ClFO/c16-8-4-5-12-9-13(17)11-15(10-12)18-14-6-2-1-3-7-14/h9-11,14H,1-3,6-8H2
InChIKeyXTXIWGMQVZGYFB-UHFFFAOYSA-N
MW266.74 g/mol
LogP4.13
Rot. Bonds2

About 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene

1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene (PubChem CID 81326053) has the molecular formula C15H16ClFO and a molecular weight of 266.74 g/mol. Its IUPAC name is 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene.

Molecular Properties

Compound Name1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene
PubChem CID81326053
Molecular FormulaC15H16ClFO
Molecular Weight266.74 g/mol
Exact Mass266.09
IUPAC Name1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene
SMILESFc1cc(C#CCCl)cc(OC2CCCCC2)c1
InChIInChI=1S/C15H16ClFO/c16-8-4-5-12-9-13(17)11-15(10-12)18-14-6-2-1-3-7-14/h9-11,14H,1-3,6-8H2
InChIKeyXTXIWGMQVZGYFB-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cyclohexyloxy-5-fluorophenyl)prop-2-yn-1-ol
CID 81325582
1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326207
[4-(3-chloroprop-1-ynyl)phenoxy]cycloheptane
CID 82922764
3-(3-chloroprop-1-ynyl)-5-cycloheptyloxypyridine
CID 82923291
3-[3-fluoro-5-(3-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81325530
3-[3-fluoro-5-(3-methylcyclohexyl)oxyphenyl]prop-2-yn-1-ol
CID 81325816
1-(3-chloroprop-1-ynyl)-3-(2-cyclopropylethoxy)-5-fluorobenzene
CID 81325597
3-[3-fluoro-5-(4-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81326142
1-(4-chlorobut-1-ynyl)-3-(3,4-dimethylcyclohexyl)oxy-5-fluorobenzene
CID 81315042
3-[3-(4-chlorobut-1-ynyl)-5-fluorophenoxy]thiolane 1,1-dioxide
CID 81325753
4-[3-fluoro-5-(oxan-3-yloxy)phenyl]but-3-yn-1-ol
CID 107137047
1-(4-chlorobut-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326215

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene?
The IUPAC name of 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene (CID 81326053) is 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene.
What is the SMILES notation for 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene?
The canonical SMILES for 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene is Fc1cc(C#CCCl)cc(OC2CCCCC2)c1.
What is the InChIKey of 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene?
The InChIKey is XTXIWGMQVZGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFO/c16-8-4-5-12-9-13(17)11-15(10-12)18-14-6-2-1-3-7-14/h9-11,14H,1-3,6-8H2.
What are the key properties of 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene?
1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene has a molecular weight of 266.74 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene is sourced from PubChem (CID 81326053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).