[4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane

C11H17F — CID 166876675

IUPAC[4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane
SMILESCC(C)C(CF)CC#CC1CC1
InChIInChI=1S/C11H17F/c1-9(2)11(8-12)5-3-4-10-6-7-10/h9-11H,5-8H2,1-2H3
InChIKeyQEVCAEJPBUMOTB-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.03
Rot. Bonds3

About [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane

[4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane (PubChem CID 166876675) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane.

Molecular Properties

Compound Name[4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane
PubChem CID166876675
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name[4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane
SMILESCC(C)C(CF)CC#CC1CC1
InChIInChI=1S/C11H17F/c1-9(2)11(8-12)5-3-4-10-6-7-10/h9-11H,5-8H2,1-2H3
InChIKeyQEVCAEJPBUMOTB-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.03
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

Cyclopropane, 1-(3,3-dimethyl-1-butynyl)-1-fluoro-2,2,3,3-tetramethyl-
CID 534813
Cyclopropane, 1-fluoro-1-(1-hexynyl)-2,2,3,3-tetramethyl-
CID 12023139
cis-(1S,3S)-1-fluoro-1-hex-1-ynyl-2,2,3-trimethylcyclopropane
CID 134933683
trans-(1R,3S)-1-fluoro-1-hex-1-ynyl-2,2,3-trimethylcyclopropane
CID 134986127
Cyclopropane, 1-fluoro-1,2,3,3-tetramethyl-2-(1-hexynyl)-
CID 535279
1-Fluoro-1-hex-1-ynyl-2,2-dimethyl-cyclopropane
CID 6424237
(6S)-6-(fluoromethyl)-5-methyloct-3-yne
CID 89345410
3-Ethyl-3-fluoro-2-methyloct-4-yne
CID 162524682
8-Fluoro-6,7-dimethylnon-3-yne
CID 169607475
trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane
CID 173488103
2-(3,3-Dimethyl-but-1-ynyl)-1,1,3-trimethyl-cyclopropane
CID 535219
6-Methylhept-3-yn-2-ylcyclopropane
CID 58088327

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane?
The IUPAC name of [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane (CID 166876675) is [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane.
What is the SMILES notation for [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane?
The canonical SMILES for [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane is CC(C)C(CF)CC#CC1CC1.
What is the InChIKey of [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane?
The InChIKey is QEVCAEJPBUMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F/c1-9(2)11(8-12)5-3-4-10-6-7-10/h9-11H,5-8H2,1-2H3.
What are the key properties of [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane?
[4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane has a molecular weight of 168.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-5-methylhex-1-ynyl]cyclopropane is sourced from PubChem (CID 166876675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).