1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene

C14H19F — CID 174276032

IUPAC1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene
SMILESCc1cccc(F)c1C1CC(C(C)C)C1
InChIInChI=1S/C14H19F/c1-9(2)11-7-12(8-11)14-10(3)5-4-6-13(14)15/h4-6,9,11-12H,7-8H2,1-3H3
InChIKeyWFGZJKIZCYAOBV-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.28
Rot. Bonds2

About 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene

1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene (PubChem CID 174276032) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene
PubChem CID174276032
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene
SMILESCc1cccc(F)c1C1CC(C(C)C)C1
InChIInChI=1S/C14H19F/c1-9(2)11-7-12(8-11)14-10(3)5-4-6-13(14)15/h4-6,9,11-12H,7-8H2,1-3H3
InChIKeyWFGZJKIZCYAOBV-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
CID 176552656
2-[3-(2-fluoro-6-methylphenyl)cyclopentyl]ethanethiol
CID 177327822
ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine
CID 176552852
1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene
CID 135179101
2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene
CID 142422134
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
CID 29079485
1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025337
3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine
CID 177327550
(2R)-2-(2-fluoro-6-methylphenyl)piperazine
CID 131128781
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene?
The IUPAC name of 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene (CID 174276032) is 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene.
What is the SMILES notation for 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene?
The canonical SMILES for 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene is Cc1cccc(F)c1C1CC(C(C)C)C1.
What is the InChIKey of 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene?
The InChIKey is WFGZJKIZCYAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-9(2)11-7-12(8-11)14-10(3)5-4-6-13(14)15/h4-6,9,11-12H,7-8H2,1-3H3.
What are the key properties of 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene?
1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene has a molecular weight of 206.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene is sourced from PubChem (CID 174276032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).