1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene

C14H19F — CID 84722324

IUPAC1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
SMILESCc1ccc(CC2(F)CCCCC2)cc1
InChIInChI=1S/C14H19F/c1-12-5-7-13(8-6-12)11-14(15)9-3-2-4-10-14/h5-8H,2-4,9-11H2,1H3
InChIKeyNMFGADKYEQKTCS-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.21
Rot. Bonds2

About 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene

1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene (PubChem CID 84722324) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
PubChem CID84722324
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
SMILESCc1ccc(CC2(F)CCCCC2)cc1
InChIInChI=1S/C14H19F/c1-12-5-7-13(8-6-12)11-14(15)9-3-2-4-10-14/h5-8H,2-4,9-11H2,1H3
InChIKeyNMFGADKYEQKTCS-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[(1-fluorocyclohexyl)methyl]benzene
CID 84730092
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
CID 66048468
2-[4-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
CID 84727142
4-[(1-fluorocyclooctyl)methyl]benzoic acid
CID 144590205
4-[(1-fluorocyclopentyl)methyl]benzaldehyde
CID 84722284
1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde
CID 131113832
4-[(1-fluorocyclopropyl)methyl]aniline
CID 84717040
4-[(1-fluorocyclobutyl)methyl]benzoic acid
CID 84722629
2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine
CID 170152077

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene (CID 84722324) is 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene is Cc1ccc(CC2(F)CCCCC2)cc1.
What is the InChIKey of 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene?
The InChIKey is NMFGADKYEQKTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-12-5-7-13(8-6-12)11-14(15)9-3-2-4-10-14/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene?
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene has a molecular weight of 206.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene is sourced from PubChem (CID 84722324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).