1-(4-fluorocyclohexyl)-4-methylcycloheptane

C14H25F — CID 142144551

IUPAC1-(4-fluorocyclohexyl)-4-methylcycloheptane
SMILESCC1CCCC(C2CCC(F)CC2)CC1
InChIInChI=1S/C14H25F/c1-11-3-2-4-12(6-5-11)13-7-9-14(15)10-8-13/h11-14H,2-10H2,1H3
InChIKeyIGJNVTRKRAGVMP-UHFFFAOYSA-N
MW212.35 g/mol
LogP4.73
Rot. Bonds1

About 1-(4-fluorocyclohexyl)-4-methylcycloheptane

1-(4-fluorocyclohexyl)-4-methylcycloheptane (PubChem CID 142144551) has the molecular formula C14H25F and a molecular weight of 212.35 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-4-methylcycloheptane.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-4-methylcycloheptane
PubChem CID142144551
Molecular FormulaC14H25F
Molecular Weight212.35 g/mol
Exact Mass212.19
IUPAC Name1-(4-fluorocyclohexyl)-4-methylcycloheptane
SMILESCC1CCCC(C2CCC(F)CC2)CC1
InChIInChI=1S/C14H25F/c1-11-3-2-4-12(6-5-11)13-7-9-14(15)10-8-13/h11-14H,2-10H2,1H3
InChIKeyIGJNVTRKRAGVMP-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-fluoro-4-methylcycloheptane
CID 155056751
1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 126548134
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
4-(4-methylcycloheptyl)cyclohexan-1-ol
CID 135218850
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 159024570

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-4-methylcycloheptane?
The IUPAC name of 1-(4-fluorocyclohexyl)-4-methylcycloheptane (CID 142144551) is 1-(4-fluorocyclohexyl)-4-methylcycloheptane.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-4-methylcycloheptane?
The canonical SMILES for 1-(4-fluorocyclohexyl)-4-methylcycloheptane is CC1CCCC(C2CCC(F)CC2)CC1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-4-methylcycloheptane?
The InChIKey is IGJNVTRKRAGVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F/c1-11-3-2-4-12(6-5-11)13-7-9-14(15)10-8-13/h11-14H,2-10H2,1H3.
What are the key properties of 1-(4-fluorocyclohexyl)-4-methylcycloheptane?
1-(4-fluorocyclohexyl)-4-methylcycloheptane has a molecular weight of 212.35 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-4-methylcycloheptane is sourced from PubChem (CID 142144551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).