1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene

C10H11Cl2F — CID 118359557

IUPAC1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C10H11Cl2F/c1-6(2)3-7-4-8(11)5-9(12)10(7)13/h4-6H,3H2,1-2H3
InChIKeyMSFBSUUIBDKDHM-UHFFFAOYSA-N
MW221.10 g/mol
LogP4.33
Rot. Bonds2

About 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene

1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene (PubChem CID 118359557) has the molecular formula C10H11Cl2F and a molecular weight of 221.10 g/mol. Its IUPAC name is 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene
PubChem CID118359557
Molecular FormulaC10H11Cl2F
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C10H11Cl2F/c1-6(2)3-7-4-8(11)5-9(12)10(7)13/h4-6H,3H2,1-2H3
InChIKeyMSFBSUUIBDKDHM-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 90860259
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
CID 141214652
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
3-chloro-4-(2-methylpropyl)benzaldehyde
CID 86715140
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
1-[3-chloro-5-(2-methylpropyl)phenyl]-3-methylbutan-2-one
CID 176774889

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene?
The IUPAC name of 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene (CID 118359557) is 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene?
The canonical SMILES for 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene is CC(C)Cc1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene?
The InChIKey is MSFBSUUIBDKDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F/c1-6(2)3-7-4-8(11)5-9(12)10(7)13/h4-6H,3H2,1-2H3.
What are the key properties of 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene?
1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene has a molecular weight of 221.10 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene is sourced from PubChem (CID 118359557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).