1-fluoropropylcyclohexane

C9H17F — CID 175482470

IUPAC1-fluoropropylcyclohexane
SMILESCCC(F)C1CCCCC1
InChIInChI=1S/C9H17F/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyLQJULBDDKRTUIS-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.31
Rot. Bonds2

About 1-fluoropropylcyclohexane

1-fluoropropylcyclohexane (PubChem CID 175482470) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 1-fluoropropylcyclohexane.

Molecular Properties

Compound Name1-fluoropropylcyclohexane
PubChem CID175482470
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name1-fluoropropylcyclohexane
SMILESCCC(F)C1CCCCC1
InChIInChI=1S/C9H17F/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyLQJULBDDKRTUIS-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S)-1-fluoropropyl]cyclopropane
CID 158184537
difluoromethylcyclohexane;propane
CID 144840509
4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
4-cyclohexyl-4-fluorobutan-2-one
CID 105435232
butan-2-ylcyclohexadecane
CID 123713671
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
CID 107446700
4-cyclopentyl-4-fluorobutan-2-amine
CID 105431339
butan-2-ylcyclohexane;ethane
CID 143005290
difluoromethylcyclohexane
CID 11804807
difluoromethylcyclopentadecane
CID 101486578
(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropylcyclohexane?
The IUPAC name of 1-fluoropropylcyclohexane (CID 175482470) is 1-fluoropropylcyclohexane.
What is the SMILES notation for 1-fluoropropylcyclohexane?
The canonical SMILES for 1-fluoropropylcyclohexane is CCC(F)C1CCCCC1.
What is the InChIKey of 1-fluoropropylcyclohexane?
The InChIKey is LQJULBDDKRTUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-fluoropropylcyclohexane?
1-fluoropropylcyclohexane has a molecular weight of 144.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropylcyclohexane is sourced from PubChem (CID 175482470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).