3-ethyl-5-fluorooctane

C10H21F — CID 175589008

IUPAC3-ethyl-5-fluorooctane
SMILESCCCC(F)CC(CC)CC
InChIInChI=1S/C10H21F/c1-4-7-10(11)8-9(5-2)6-3/h9-10H,4-8H2,1-3H3
InChIKeyAMBUAABRISBDTF-UHFFFAOYSA-N
MW160.28 g/mol
LogP3.95
Rot. Bonds6

About 3-ethyl-5-fluorooctane

3-ethyl-5-fluorooctane (PubChem CID 175589008) has the molecular formula C10H21F and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-ethyl-5-fluorooctane.

Molecular Properties

Compound Name3-ethyl-5-fluorooctane
PubChem CID175589008
Molecular FormulaC10H21F
Molecular Weight160.28 g/mol
Exact Mass160.16
IUPAC Name3-ethyl-5-fluorooctane
SMILESCCCC(F)CC(CC)CC
InChIInChI=1S/C10H21F/c1-4-7-10(11)8-9(5-2)6-3/h9-10H,4-8H2,1-3H3
InChIKeyAMBUAABRISBDTF-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-5-propyloctane
CID 168880938
1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine
CID 173339598
3-fluorohexane;fluoromethane
CID 171506304
4-ethyl-2-fluorohexan-1-amine
CID 112562625
3-ethyl-1,1-difluoropentane
CID 121258317
4-fluoro-2-methylheptane-1-thiol
CID 126602572
3-fluoro-5-propylnonane;methanamine
CID 168880819
6-ethyloctan-4-amine
CID 82920638
4-ethylheptane;methane
CID 143165373
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
4-fluorononane
CID 15062450
1,1-difluorobutane;ethane
CID 164925096

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluorooctane?
The IUPAC name of 3-ethyl-5-fluorooctane (CID 175589008) is 3-ethyl-5-fluorooctane.
What is the SMILES notation for 3-ethyl-5-fluorooctane?
The canonical SMILES for 3-ethyl-5-fluorooctane is CCCC(F)CC(CC)CC.
What is the InChIKey of 3-ethyl-5-fluorooctane?
The InChIKey is AMBUAABRISBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F/c1-4-7-10(11)8-9(5-2)6-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-5-fluorooctane?
3-ethyl-5-fluorooctane has a molecular weight of 160.28 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluorooctane is sourced from PubChem (CID 175589008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).