1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane

C18H33FO — CID 57124545

IUPAC1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane
SMILESCCCC1CCC(C(F)CCOC2CCCCC2)CC1
InChIInChI=1S/C18H33FO/c1-2-6-15-9-11-16(12-10-15)18(19)13-14-20-17-7-4-3-5-8-17/h15-18H,2-14H2,1H3
InChIKeyJIACKVUNSPGDCL-UHFFFAOYSA-N
MW284.46 g/mol
LogP5.67
Rot. Bonds7

About 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane

1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane (PubChem CID 57124545) has the molecular formula C18H33FO and a molecular weight of 284.46 g/mol. Its IUPAC name is 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane
PubChem CID57124545
Molecular FormulaC18H33FO
Molecular Weight284.46 g/mol
Exact Mass284.25
IUPAC Name1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane
SMILESCCCC1CCC(C(F)CCOC2CCCCC2)CC1
InChIInChI=1S/C18H33FO/c1-2-6-15-9-11-16(12-10-15)18(19)13-14-20-17-7-4-3-5-8-17/h15-18H,2-14H2,1H3
InChIKeyJIACKVUNSPGDCL-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclohexyloxyethyl)-4-propylcyclohexan-1-amine
CID 63826755
propoxycyclooctane
CID 54078990
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
4-cyclohexyloxy-2-ethylbutanal
CID 91130467
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79575352
1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
CID 162718702
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
octoxycyclopentane
CID 14691467

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane?
The IUPAC name of 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane (CID 57124545) is 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane.
What is the SMILES notation for 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane?
The canonical SMILES for 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane is CCCC1CCC(C(F)CCOC2CCCCC2)CC1.
What is the InChIKey of 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane?
The InChIKey is JIACKVUNSPGDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FO/c1-2-6-15-9-11-16(12-10-15)18(19)13-14-20-17-7-4-3-5-8-17/h15-18H,2-14H2,1H3.
What are the key properties of 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane?
1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane has a molecular weight of 284.46 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxy-1-fluoropropyl)-4-propylcyclohexane is sourced from PubChem (CID 57124545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).