5-fluoro-7-methylundecane

C12H25F — CID 172587922

IUPAC5-fluoro-7-methylundecane
SMILESCCCCC(C)CC(F)CCCC
InChIInChI=1S/C12H25F/c1-4-6-8-11(3)10-12(13)9-7-5-2/h11-12H,4-10H2,1-3H3
InChIKeyXIDJFOCBHAPFBG-UHFFFAOYSA-N
MW188.33 g/mol
LogP4.73
Rot. Bonds8

About 5-fluoro-7-methylundecane

5-fluoro-7-methylundecane (PubChem CID 172587922) has the molecular formula C12H25F and a molecular weight of 188.33 g/mol. Its IUPAC name is 5-fluoro-7-methylundecane.

Molecular Properties

Compound Name5-fluoro-7-methylundecane
PubChem CID172587922
Molecular FormulaC12H25F
Molecular Weight188.33 g/mol
Exact Mass188.19
IUPAC Name5-fluoro-7-methylundecane
SMILESCCCCC(C)CC(F)CCCC
InChIInChI=1S/C12H25F/c1-4-6-8-11(3)10-12(13)9-7-5-2/h11-12H,4-10H2,1-3H3
InChIKeyXIDJFOCBHAPFBG-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-fluoro-7-methylundecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluorononane
CID 14113820
5,7,10-trimethyltetradecane
CID 91033593
1-fluoro-1-iodo-3-methylheptane;methanamine
CID 144585929
1,2-difluoro-4-methylheptane
CID 138528222
2,4-dimethyloctane;ethene
CID 156719555
5,15,17-trimethylpentatriacontane
CID 172565406
6,8-dimethylhexadecane
CID 91185725
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
4-fluoro-2-methylheptane-1-thiol
CID 126602572
2,4,5,7-tetramethylundecane
CID 91373064
2-fluorohexan-1-amine
CID 55288883
(3S)-1,3-difluoroheptane
CID 148515317

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methylundecane?
The IUPAC name of 5-fluoro-7-methylundecane (CID 172587922) is 5-fluoro-7-methylundecane.
What is the SMILES notation for 5-fluoro-7-methylundecane?
The canonical SMILES for 5-fluoro-7-methylundecane is CCCCC(C)CC(F)CCCC.
What is the InChIKey of 5-fluoro-7-methylundecane?
The InChIKey is XIDJFOCBHAPFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F/c1-4-6-8-11(3)10-12(13)9-7-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-fluoro-7-methylundecane?
5-fluoro-7-methylundecane has a molecular weight of 188.33 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methylundecane is sourced from PubChem (CID 172587922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).