3-fluoro-5-propyloctane

C11H23F — CID 168880938

IUPAC3-fluoro-5-propyloctane
SMILESCCCC(CCC)CC(F)CC
InChIInChI=1S/C11H23F/c1-4-7-10(8-5-2)9-11(12)6-3/h10-11H,4-9H2,1-3H3
InChIKeyYSLZAGQMDIGFFO-UHFFFAOYSA-N
MW174.30 g/mol
LogP4.34
Rot. Bonds7

About 3-fluoro-5-propyloctane

3-fluoro-5-propyloctane (PubChem CID 168880938) has the molecular formula C11H23F and a molecular weight of 174.30 g/mol. Its IUPAC name is 3-fluoro-5-propyloctane.

Molecular Properties

Compound Name3-fluoro-5-propyloctane
PubChem CID168880938
Molecular FormulaC11H23F
Molecular Weight174.30 g/mol
Exact Mass174.18
IUPAC Name3-fluoro-5-propyloctane
SMILESCCCC(CCC)CC(F)CC
InChIInChI=1S/C11H23F/c1-4-7-10(8-5-2)9-11(12)6-3/h10-11H,4-9H2,1-3H3
InChIKeyYSLZAGQMDIGFFO-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-5-propylnonane;methanamine
CID 168880819
3-ethyl-5-fluorooctane
CID 175589008
3-fluorohexane;fluoromethane
CID 171506304
5-ethyl-2-fluoro-4-methyl-7-propyldecane
CID 166725532
1,2,4-trifluorohexane
CID 54469052
4-ethylheptane;methane
CID 143165373
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
6-butyl-4,8-dipropylundecane
CID 158410657
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
4-ethyl-6-propyltetradecane
CID 91553020
(4R)-4-fluoro-2-propylpentan-1-ol
CID 176624493

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propyloctane?
The IUPAC name of 3-fluoro-5-propyloctane (CID 168880938) is 3-fluoro-5-propyloctane.
What is the SMILES notation for 3-fluoro-5-propyloctane?
The canonical SMILES for 3-fluoro-5-propyloctane is CCCC(CCC)CC(F)CC.
What is the InChIKey of 3-fluoro-5-propyloctane?
The InChIKey is YSLZAGQMDIGFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F/c1-4-7-10(8-5-2)9-11(12)6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-fluoro-5-propyloctane?
3-fluoro-5-propyloctane has a molecular weight of 174.30 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propyloctane is sourced from PubChem (CID 168880938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).