8-chloro-3-fluorooct-1-yne

C8H12ClF — CID 122369017

IUPAC8-chloro-3-fluorooct-1-yne
SMILESC#CC(F)CCCCCCl
InChIInChI=1S/C8H12ClF/c1-2-8(10)6-4-3-5-7-9/h1,8H,3-7H2
InChIKeyMNNINUZKMLUZRI-UHFFFAOYSA-N
MW162.63 g/mol
LogP2.76
Rot. Bonds5

About 8-chloro-3-fluorooct-1-yne

8-chloro-3-fluorooct-1-yne (PubChem CID 122369017) has the molecular formula C8H12ClF and a molecular weight of 162.63 g/mol. Its IUPAC name is 8-chloro-3-fluorooct-1-yne.

Molecular Properties

Compound Name8-chloro-3-fluorooct-1-yne
PubChem CID122369017
Molecular FormulaC8H12ClF
Molecular Weight162.63 g/mol
Exact Mass162.06
IUPAC Name8-chloro-3-fluorooct-1-yne
SMILESC#CC(F)CCCCCCl
InChIInChI=1S/C8H12ClF/c1-2-8(10)6-4-3-5-7-9/h1,8H,3-7H2
InChIKeyMNNINUZKMLUZRI-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.63
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

alumane;1,8-dichlorooctane
CID 173313045
trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane
CID 175038963
1,8-dichloro-2-methyloctane
CID 154320293
10-chlorodecan-2-ol
CID 139625659
(2R)-9-chlorononan-2-ol
CID 139766902
3-fluoropent-1-yne
CID 91592004
1,6-dichloro-1-isocyanatohexane
CID 156773799
10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane
CID 141373597
CID 87098051
CID 87098051
2,10-dichlorodecane-1,1,1-triol
CID 118276052
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
6-chlorohexan-2-yloxysilane
CID 173272103

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-fluorooct-1-yne?
The IUPAC name of 8-chloro-3-fluorooct-1-yne (CID 122369017) is 8-chloro-3-fluorooct-1-yne.
What is the SMILES notation for 8-chloro-3-fluorooct-1-yne?
The canonical SMILES for 8-chloro-3-fluorooct-1-yne is C#CC(F)CCCCCCl.
What is the InChIKey of 8-chloro-3-fluorooct-1-yne?
The InChIKey is MNNINUZKMLUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF/c1-2-8(10)6-4-3-5-7-9/h1,8H,3-7H2.
What are the key properties of 8-chloro-3-fluorooct-1-yne?
8-chloro-3-fluorooct-1-yne has a molecular weight of 162.63 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-fluorooct-1-yne is sourced from PubChem (CID 122369017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).