2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene

C14H16ClF — CID 134441423

IUPAC2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene
SMILESC=C(C)C1C(c2ccc(F)c(Cl)c2)C1(C)C
InChIInChI=1S/C14H16ClF/c1-8(2)12-13(14(12,3)4)9-5-6-11(16)10(15)7-9/h5-7,12-13H,1H2,2-4H3
InChIKeyQXOZHVORBKABPJ-UHFFFAOYSA-N
MW238.73 g/mol
LogP4.79
Rot. Bonds2

About 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene

2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene (PubChem CID 134441423) has the molecular formula C14H16ClF and a molecular weight of 238.73 g/mol. Its IUPAC name is 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene
PubChem CID134441423
Molecular FormulaC14H16ClF
Molecular Weight238.73 g/mol
Exact Mass238.09
IUPAC Name2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene
SMILESC=C(C)C1C(c2ccc(F)c(Cl)c2)C1(C)C
InChIInChI=1S/C14H16ClF/c1-8(2)12-13(14(12,3)4)9-5-6-11(16)10(15)7-9/h5-7,12-13H,1H2,2-4H3
InChIKeyQXOZHVORBKABPJ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.73
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene
CID 138653575
cis-(1S,3S)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 122615213
trans-(1S,3S)-3-(3-fluoro-4-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202838
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
CID 81165667
2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
CID 81165826
(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498696
N-(4-acetamidophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618862
trans-(1R,3R)-N-(diaminomethylidene)-3-(4-fluoro-3-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 11057914
(4R,6S,7S)-4-(3-chloro-4-fluorophenyl)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]nonan-7-ol
CID 110134740
3-(3-fluoro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 82159310
trans-(5-amino-2-methyl-5-oxopentan-2-yl) (1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxylate
CID 138646775
N-[1-[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]ethenyl]-3-[1-(2,4-difluoroanilino)ethenyl]-4-fluoro-5-methylaniline
CID 134441797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene?
The IUPAC name of 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene (CID 134441423) is 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene is C=C(C)C1C(c2ccc(F)c(Cl)c2)C1(C)C.
What is the InChIKey of 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene?
The InChIKey is QXOZHVORBKABPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF/c1-8(2)12-13(14(12,3)4)9-5-6-11(16)10(15)7-9/h5-7,12-13H,1H2,2-4H3.
What are the key properties of 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene?
2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene has a molecular weight of 238.73 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-1-fluorobenzene is sourced from PubChem (CID 134441423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).