1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane

C19H33F — CID 126548134

IUPAC1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C3CCCC(F)C3)CC2)CC1
InChIInChI=1S/C19H33F/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-3-2-4-19(20)13-18/h14-19H,2-13H2,1H3
InChIKeyXDPMIAOBVDQRNP-UHFFFAOYSA-N
MW280.47 g/mol
LogP6.15
Rot. Bonds2

About 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane

1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 126548134) has the molecular formula C19H33F and a molecular weight of 280.47 g/mol. Its IUPAC name is 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID126548134
Molecular FormulaC19H33F
Molecular Weight280.47 g/mol
Exact Mass280.26
IUPAC Name1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C3CCCC(F)C3)CC2)CC1
InChIInChI=1S/C19H33F/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-3-2-4-19(20)13-18/h14-19H,2-13H2,1H3
InChIKeyXDPMIAOBVDQRNP-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-fluorocyclohexyl)-4-methylcycloheptane
CID 142144551
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
(1R)-1-fluoro-4-methylcycloheptane
CID 155056751
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane (CID 126548134) is 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane is CC1CCC(C2CCC(C3CCCC(F)C3)CC2)CC1.
What is the InChIKey of 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is XDPMIAOBVDQRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-3-2-4-19(20)13-18/h14-19H,2-13H2,1H3.
What are the key properties of 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 280.47 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 126548134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).