2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane

C14H25FO — CID 140870750

IUPAC2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(CCCCC)CC1F
InChIInChI=1S/C14H25FO/c1-3-5-6-7-12-8-9-14(13(15)11-12)16-10-4-2/h4,12-14H,2-3,5-11H2,1H3
InChIKeyGNDDAPKTCPYSKE-UHFFFAOYSA-N
MW228.35 g/mol
LogP4.28
Rot. Bonds7

About 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane

2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane (PubChem CID 140870750) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane
PubChem CID140870750
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(CCCCC)CC1F
InChIInChI=1S/C14H25FO/c1-3-5-6-7-12-8-9-14(13(15)11-12)16-10-4-2/h4,12-14H,2-3,5-11H2,1H3
InChIKeyGNDDAPKTCPYSKE-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane?
The IUPAC name of 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane (CID 140870750) is 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane.
What is the SMILES notation for 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane?
The canonical SMILES for 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane is C=CCOC1CCC(CCCCC)CC1F.
What is the InChIKey of 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane?
The InChIKey is GNDDAPKTCPYSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO/c1-3-5-6-7-12-8-9-14(13(15)11-12)16-10-4-2/h4,12-14H,2-3,5-11H2,1H3.
What are the key properties of 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane?
2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane has a molecular weight of 228.35 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pentyl-1-prop-2-enoxycyclohexane is sourced from PubChem (CID 140870750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).