4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene

C20H29F — CID 54260126

IUPAC4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(C2CCC(CC3CCCCC3)CC2)cc1F
InChIInChI=1S/C20H29F/c1-15-7-10-19(14-20(15)21)18-11-8-17(9-12-18)13-16-5-3-2-4-6-16/h7,10,14,16-18H,2-6,8-9,11-13H2,1H3
InChIKeyDEXMZXJUXKZNFJ-UHFFFAOYSA-N
MW288.45 g/mol
LogP6.38
Rot. Bonds3

About 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene

4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene (PubChem CID 54260126) has the molecular formula C20H29F and a molecular weight of 288.45 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
PubChem CID54260126
Molecular FormulaC20H29F
Molecular Weight288.45 g/mol
Exact Mass288.23
IUPAC Name4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(C2CCC(CC3CCCCC3)CC2)cc1F
InChIInChI=1S/C20H29F/c1-15-7-10-19(14-20(15)21)18-11-8-17(9-12-18)13-16-5-3-2-4-6-16/h7,10,14,16-18H,2-6,8-9,11-13H2,1H3
InChIKeyDEXMZXJUXKZNFJ-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene (CID 54260126) is 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene is Cc1ccc(C2CCC(CC3CCCCC3)CC2)cc1F.
What is the InChIKey of 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene?
The InChIKey is DEXMZXJUXKZNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F/c1-15-7-10-19(14-20(15)21)18-11-8-17(9-12-18)13-16-5-3-2-4-6-16/h7,10,14,16-18H,2-6,8-9,11-13H2,1H3.
What are the key properties of 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene?
4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene has a molecular weight of 288.45 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 54260126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).