1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane

C14H24F2 — CID 54567710

IUPAC1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane
SMILESCC1(F)CCC(C2CCC(C)(F)CC2)CC1
InChIInChI=1S/C14H24F2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12/h11-12H,3-10H2,1-2H3
InChIKeyZVAFKQPFAPFDNZ-UHFFFAOYSA-N
MW230.34 g/mol
LogP4.82
Rot. Bonds1

About 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane

1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane (PubChem CID 54567710) has the molecular formula C14H24F2 and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane.

Molecular Properties

Compound Name1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane
PubChem CID54567710
Molecular FormulaC14H24F2
Molecular Weight230.34 g/mol
Exact Mass230.18
IUPAC Name1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane
SMILESCC1(F)CCC(C2CCC(C)(F)CC2)CC1
InChIInChI=1S/C14H24F2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12/h11-12H,3-10H2,1-2H3
InChIKeyZVAFKQPFAPFDNZ-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094
1-fluoro-1-methylcyclopropane
CID 18684623
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
1-fluoro-1-methylcycloheptane
CID 57055784
(1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane
CID 130352610
4-[(E)-3,3-dimethylbut-1-enyl]-1-fluoro-1-methylcyclohexane
CID 158566716
4-[(2S)-but-3-en-2-yl]-1-fluoro-1-methylcyclohexane
CID 142543146
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
CID 145029599
5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene
CID 163550407
ethane;4-fluoro-4-methylpiperidine
CID 142139578
(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane?
The IUPAC name of 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane (CID 54567710) is 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane.
What is the SMILES notation for 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane?
The canonical SMILES for 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane is CC1(F)CCC(C2CCC(C)(F)CC2)CC1.
What is the InChIKey of 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane?
The InChIKey is ZVAFKQPFAPFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane?
1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane has a molecular weight of 230.34 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane is sourced from PubChem (CID 54567710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).