4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane

C11H17F — CID 143588877

IUPAC4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane
SMILESCC#CC1CC(CC)CCC1F
InChIInChI=1S/C11H17F/c1-3-5-10-8-9(4-2)6-7-11(10)12/h9-11H,4,6-8H2,1-2H3
InChIKeyIGYXRELKGJJOLX-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.17
Rot. Bonds1

About 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane

4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane (PubChem CID 143588877) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane.

Molecular Properties

Compound Name4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane
PubChem CID143588877
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane
SMILESCC#CC1CC(CC)CCC1F
InChIInChI=1S/C11H17F/c1-3-5-10-8-9(4-2)6-7-11(10)12/h9-11H,4,6-8H2,1-2H3
InChIKeyIGYXRELKGJJOLX-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5,5-Difluorohex-2-yn-1-yl)cyclohexane
CID 170854900
1-Cyclohexyloct-3-yne
CID 19817989
5-Cyclohexyl-2-methyl-pentin-3
CID 20823880
1-Fluoro-1-(2-methylpropyl)cyclohexane
CID 22112134
2-Fluoro-1,3,5-trimethylcyclohexane
CID 58252639
1-Fluoro-3-methyl-5-(2-methylpropyl)cyclohexane
CID 59178156
1-(Difluoromethyl)-3-prop-1-ynylcyclohexane
CID 67237805
1-Fluorooctylcyclohexane
CID 67688316
1-Fluoro-4-(2-methylpropyl)cyclohexane
CID 68189551
2,4-Diethyl-1-fluorocyclohexane
CID 68340681
1,3-Diethyl-2-fluorocyclohexane
CID 68382441
1-Butan-2-yl-2-fluoro-3-methylcyclohexane
CID 68382479

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane?
The IUPAC name of 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane (CID 143588877) is 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane.
What is the SMILES notation for 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane?
The canonical SMILES for 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane is CC#CC1CC(CC)CCC1F.
What is the InChIKey of 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane?
The InChIKey is IGYXRELKGJJOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F/c1-3-5-10-8-9(4-2)6-7-11(10)12/h9-11H,4,6-8H2,1-2H3.
What are the key properties of 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane?
4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane has a molecular weight of 168.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-fluoro-2-prop-1-ynylcyclohexane is sourced from PubChem (CID 143588877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).