1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane

C17H31FO — CID 19780918

IUPAC1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(CCCF)CC2)CC1
InChIInChI=1S/C17H31FO/c1-19-13-15-6-10-17(11-7-15)16-8-4-14(5-9-16)3-2-12-18/h14-17H,2-13H2,1H3
InChIKeyBGNVEOQGIFQMBR-UHFFFAOYSA-N
MW270.43 g/mol
LogP5.00
Rot. Bonds6

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

1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (PubChem CID 19780918) has the molecular formula C17H31FO and a molecular weight of 270.43 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
PubChem CID19780918
Molecular FormulaC17H31FO
Molecular Weight270.43 g/mol
Exact Mass270.24
IUPAC Name1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(CCCF)CC2)CC1
InChIInChI=1S/C17H31FO/c1-19-13-15-6-10-17(11-7-15)16-8-4-14(5-9-16)3-2-12-18/h14-17H,2-13H2,1H3
InChIKeyBGNVEOQGIFQMBR-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-heptyl-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19850398
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
1-(8-fluorooctyl)-4-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 54035410
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459
1-[4-(3-fluoropropyl)cyclohexyl]-4-[2-(4-hexylcyclohexyl)ethyl]cyclohexane
CID 19352474
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
CID 70489412
1-(3-fluoropropyl)-4-methylcyclohexane
CID 166888842
1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18343974
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]butyl]benzene
CID 20654091

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (CID 19780918) is 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane is COCC1CCC(C2CCC(CCCF)CC2)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is BGNVEOQGIFQMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FO/c1-19-13-15-6-10-17(11-7-15)16-8-4-14(5-9-16)3-2-12-18/h14-17H,2-13H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 270.43 g/mol, XLogP of 5.00, 6 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-(methoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19780918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).