4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene

C16H29Cl2F — CID 143325072

IUPAC4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene
SMILESC=CC.CC.CCC.CCl.Cc1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClF.C3H8.C3H6.C2H6.CH3Cl/c1-5-4-6(8)2-3-7(5)9;2*1-3-2;2*1-2/h2-4H,1H3;3H2,1-2H3;3H,1H2,2H3;1-2H3;1H3
InChIKeyRITXJIXFWFSAHC-UHFFFAOYSA-N
MW311.31 g/mol
LogP7.28
Rot. Bonds

About 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene

4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene (PubChem CID 143325072) has the molecular formula C16H29Cl2F and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene.

Molecular Properties

Compound Name4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene
PubChem CID143325072
Molecular FormulaC16H29Cl2F
Molecular Weight311.31 g/mol
Exact Mass310.16
IUPAC Name4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene
SMILESC=CC.CC.CCC.CCl.Cc1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClF.C3H8.C3H6.C2H6.CH3Cl/c1-5-4-6(8)2-3-7(5)9;2*1-3-2;2*1-2/h2-4H,1H3;3H2,1-2H3;3H,1H2,2H3;1-2H3;1H3
InChIKeyRITXJIXFWFSAHC-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.31
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
CID 91655286
ethane;1-fluoro-2-methylbenzene;propane
CID 143588585
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
CID 143548597
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
ethane;4-fluoro-3-methylaniline
CID 142250330
1-(4-fluoro-3-methylphenyl)but-3-en-2-one
CID 141051945
1-(4-chloro-2-methylphenyl)but-3-en-1-ol
CID 2757691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene?
The IUPAC name of 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene (CID 143325072) is 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene.
What is the SMILES notation for 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene?
The canonical SMILES for 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene is C=CC.CC.CCC.CCl.Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene?
The InChIKey is RITXJIXFWFSAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF.C3H8.C3H6.C2H6.CH3Cl/c1-5-4-6(8)2-3-7(5)9;2*1-3-2;2*1-2/h2-4H,1H3;3H2,1-2H3;3H,1H2,2H3;1-2H3;1H3.
What are the key properties of 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene?
4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene has a molecular weight of 311.31 g/mol, XLogP of 7.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene is sourced from PubChem (CID 143325072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).