7-chloro-8-fluoro-3-methylnona-1,7-diene

C10H16ClF — CID 123281974

IUPAC7-chloro-8-fluoro-3-methylnona-1,7-diene
SMILESC=CC(C)CCCC(Cl)=C(C)F
InChIInChI=1S/C10H16ClF/c1-4-8(2)6-5-7-10(11)9(3)12/h4,8H,1,5-7H2,2-3H3
InChIKeyUHSCUUAJYIYTCP-UHFFFAOYSA-N
MW190.69 g/mol
LogP4.42
Rot. Bonds5

About 7-chloro-8-fluoro-3-methylnona-1,7-diene

7-chloro-8-fluoro-3-methylnona-1,7-diene (PubChem CID 123281974) has the molecular formula C10H16ClF and a molecular weight of 190.69 g/mol. Its IUPAC name is 7-chloro-8-fluoro-3-methylnona-1,7-diene.

Molecular Properties

Compound Name7-chloro-8-fluoro-3-methylnona-1,7-diene
PubChem CID123281974
Molecular FormulaC10H16ClF
Molecular Weight190.69 g/mol
Exact Mass190.09
IUPAC Name7-chloro-8-fluoro-3-methylnona-1,7-diene
SMILESC=CC(C)CCCC(Cl)=C(C)F
InChIInChI=1S/C10H16ClF/c1-4-8(2)6-5-7-10(11)9(3)12/h4,8H,1,5-7H2,2-3H3
InChIKeyUHSCUUAJYIYTCP-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,8-dimethylnon-1-ene
CID 54356105
3,8,9-trimethylundeca-1,9-diene
CID 123230555
6-methyloct-7-enoate
CID 140706101
2,6-dimethyloct-7-enoic acid
CID 59229292
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
acetylene;3-methylhept-1-ene;propane
CID 144520771
8,12-dimethyltetradeca-1,3,8,13-tetraene
CID 91474104
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
3,6-dimethylhept-1-ene
CID 18443713
1-(2,6-dimethyloct-7-en-2-yloxy)-2-methylundec-1-ene
CID 156702649
(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene
CID 162828118
2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol
CID 174922668

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-3-methylnona-1,7-diene?
The IUPAC name of 7-chloro-8-fluoro-3-methylnona-1,7-diene (CID 123281974) is 7-chloro-8-fluoro-3-methylnona-1,7-diene.
What is the SMILES notation for 7-chloro-8-fluoro-3-methylnona-1,7-diene?
The canonical SMILES for 7-chloro-8-fluoro-3-methylnona-1,7-diene is C=CC(C)CCCC(Cl)=C(C)F.
What is the InChIKey of 7-chloro-8-fluoro-3-methylnona-1,7-diene?
The InChIKey is UHSCUUAJYIYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF/c1-4-8(2)6-5-7-10(11)9(3)12/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 7-chloro-8-fluoro-3-methylnona-1,7-diene?
7-chloro-8-fluoro-3-methylnona-1,7-diene has a molecular weight of 190.69 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-3-methylnona-1,7-diene is sourced from PubChem (CID 123281974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).