1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane

C19H33FO — CID 70116755

IUPAC1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane
SMILESCC=COCC1CCC(C2CCC(CCCF)CC2)CC1
InChIInChI=1S/C19H33FO/c1-2-14-21-15-17-7-11-19(12-8-17)18-9-5-16(6-10-18)4-3-13-20/h2,14,16-19H,3-13,15H2,1H3
InChIKeyIQCGGARGTXANLJ-UHFFFAOYSA-N
MW296.47 g/mol
LogP5.90
Rot. Bonds7

About 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane

1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane (PubChem CID 70116755) has the molecular formula C19H33FO and a molecular weight of 296.47 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane
PubChem CID70116755
Molecular FormulaC19H33FO
Molecular Weight296.47 g/mol
Exact Mass296.25
IUPAC Name1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane
SMILESCC=COCC1CCC(C2CCC(CCCF)CC2)CC1
InChIInChI=1S/C19H33FO/c1-2-14-21-15-17-7-11-19(12-8-17)18-9-5-16(6-10-18)4-3-13-20/h2,14,16-19H,3-13,15H2,1H3
InChIKeyIQCGGARGTXANLJ-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.47
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane (CID 70116755) is 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane is CC=COCC1CCC(C2CCC(CCCF)CC2)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is IQCGGARGTXANLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FO/c1-2-14-21-15-17-7-11-19(12-8-17)18-9-5-16(6-10-18)4-3-13-20/h2,14,16-19H,3-13,15H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane?
1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 296.47 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 70116755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).