4-(fluoromethyl)-1-prop-1-ynylcyclohexene

C10H13F — CID 89176414

IUPAC4-(fluoromethyl)-1-prop-1-ynylcyclohexene
SMILESCC#CC1=CCC(CF)CC1
InChIInChI=1S/C10H13F/c1-2-3-9-4-6-10(8-11)7-5-9/h4,10H,5-8H2,1H3
InChIKeyRWHIKUOFSBVBCH-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.71
Rot. Bonds1

About 4-(fluoromethyl)-1-prop-1-ynylcyclohexene

4-(fluoromethyl)-1-prop-1-ynylcyclohexene (PubChem CID 89176414) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-prop-1-ynylcyclohexene.

Molecular Properties

Compound Name4-(fluoromethyl)-1-prop-1-ynylcyclohexene
PubChem CID89176414
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name4-(fluoromethyl)-1-prop-1-ynylcyclohexene
SMILESCC#CC1=CCC(CF)CC1
InChIInChI=1S/C10H13F/c1-2-3-9-4-6-10(8-11)7-5-9/h4,10H,5-8H2,1H3
InChIKeyRWHIKUOFSBVBCH-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-prop-1-ynylcyclohexene?
The IUPAC name of 4-(fluoromethyl)-1-prop-1-ynylcyclohexene (CID 89176414) is 4-(fluoromethyl)-1-prop-1-ynylcyclohexene.
What is the SMILES notation for 4-(fluoromethyl)-1-prop-1-ynylcyclohexene?
The canonical SMILES for 4-(fluoromethyl)-1-prop-1-ynylcyclohexene is CC#CC1=CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-prop-1-ynylcyclohexene?
The InChIKey is RWHIKUOFSBVBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F/c1-2-3-9-4-6-10(8-11)7-5-9/h4,10H,5-8H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-prop-1-ynylcyclohexene?
4-(fluoromethyl)-1-prop-1-ynylcyclohexene has a molecular weight of 152.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-prop-1-ynylcyclohexene is sourced from PubChem (CID 89176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).