1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene

C15H10ClF — CID 135037434

IUPAC1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene
SMILESFc1ccc(CC#Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H10ClF/c16-14-6-2-5-13(11-14)4-1-3-12-7-9-15(17)10-8-12/h2,5-11H,3H2
InChIKeyUNRKCZIXOSWETO-UHFFFAOYSA-N
MW244.70 g/mol
LogP4.07
Rot. Bonds1

About 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene

1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene (PubChem CID 135037434) has the molecular formula C15H10ClF and a molecular weight of 244.70 g/mol. Its IUPAC name is 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene
PubChem CID135037434
Molecular FormulaC15H10ClF
Molecular Weight244.70 g/mol
Exact Mass244.05
IUPAC Name1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene
SMILESFc1ccc(CC#Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H10ClF/c16-14-6-2-5-13(11-14)4-1-3-12-7-9-15(17)10-8-12/h2,5-11H,3H2
InChIKeyUNRKCZIXOSWETO-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
CID 68947547
1-chloro-4-(3-phenylprop-2-ynyl)benzene
CID 71393321
4-[[4-[3-[3-(4-fluorophenyl)prop-1-ynyl]phenyl]-1H-triazet-2-yl]methyl]benzoic acid
CID 142859990
4-chloro-5-[3-(3-chlorophenyl)prop-2-ynyl]-6-methylpyrimidin-2-amine
CID 134124781
1-(3-azidoprop-1-ynyl)-3-chlorobenzene
CID 150387081
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene
CID 142261528
N-[3-(3-chlorophenyl)prop-2-ynyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90548545
1-fluoro-3-(3-fluoroprop-1-ynyl)benzene
CID 91874936
3-chloro-N-[3-(3-chlorophenyl)prop-2-ynyl]-4-fluorobenzenesulfonamide
CID 90552885
1-[3-(3-chlorophenyl)prop-2-ynyl]-3-(2-fluorophenyl)urea
CID 90552840
2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
CID 114777655

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene?
The IUPAC name of 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene (CID 135037434) is 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene.
What is the SMILES notation for 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene?
The canonical SMILES for 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene is Fc1ccc(CC#Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene?
The InChIKey is UNRKCZIXOSWETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF/c16-14-6-2-5-13(11-14)4-1-3-12-7-9-15(17)10-8-12/h2,5-11H,3H2.
What are the key properties of 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene?
1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene has a molecular weight of 244.70 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene is sourced from PubChem (CID 135037434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).