1-Fluoroprop-2-ynylcyclohexane

C9H13F — CID 90995544

IUPAC1-fluoroprop-2-ynylcyclohexane
SMILESC#CC(C1CCCCC1)F
InChIInChI=1S/C9H13F/c1-2-9(10)8-6-4-3-5-7-8/h1,8-9H,3-7H2
InChIKeyLATAPMXIQKXELS-UHFFFAOYSA-N
MW140.20 g/mol
LogP3.10
Rot. Bonds1

About 1-Fluoroprop-2-ynylcyclohexane

1-Fluoroprop-2-ynylcyclohexane (PubChem CID 90995544) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 1-fluoroprop-2-ynylcyclohexane.

Molecular Properties

Compound Name1-Fluoroprop-2-ynylcyclohexane
PubChem CID90995544
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name1-fluoroprop-2-ynylcyclohexane
SMILESC#CC(C1CCCCC1)F
InChIInChI=1S/C9H13F/c1-2-9(10)8-6-4-3-5-7-8/h1,8-9H,3-7H2
InChIKeyLATAPMXIQKXELS-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Prop-2-yn-1-yl)cyclohexane
CID 87265
Ethynylcyclohexane
CID 70263
(But-3-yn-1-yl)cyclohexane
CID 15172911
4-Ethynyl-1,1-difluorocyclohexane
CID 118008773
1,1-Difluoro-4-(prop-2-yn-1-yl)cyclohexane
CID 165647048
(Buta-1,3-diyn-1-yl)cyclohexane
CID 14529098
1-Ethynyl-4-(trifluoromethyl)cyclohexane
CID 17781227
cis-1-Ethynyl-4-fluoro-cyclohexane
CID 54011429
1-Fluoro-4-prop-2-ynylcyclohexane
CID 54432571
3,3-Difluoroprop-1-ynylcyclohexane
CID 67752336
1-Fluoro-1-(2-fluoroethynyl)cyclohexane
CID 69633740
1-Ethynyl-1,2-difluorocyclohexane
CID 87925061

Frequently Asked Questions

What is the IUPAC name of 1-Fluoroprop-2-ynylcyclohexane?
The IUPAC name of 1-Fluoroprop-2-ynylcyclohexane (CID 90995544) is 1-fluoroprop-2-ynylcyclohexane.
What is the SMILES notation for 1-Fluoroprop-2-ynylcyclohexane?
The canonical SMILES for 1-Fluoroprop-2-ynylcyclohexane is C#CC(C1CCCCC1)F.
What is the InChIKey of 1-Fluoroprop-2-ynylcyclohexane?
The InChIKey is LATAPMXIQKXELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-2-9(10)8-6-4-3-5-7-8/h1,8-9H,3-7H2.
What are the key properties of 1-Fluoroprop-2-ynylcyclohexane?
1-Fluoroprop-2-ynylcyclohexane has a molecular weight of 140.20 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Fluoroprop-2-ynylcyclohexane is sourced from PubChem (CID 90995544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).