1,5-dichloro-2-fluoro-3-propan-2-ylbenzene

C9H9Cl2F — CID 118361843

IUPAC1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C9H9Cl2F/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,1-2H3
InChIKeyCIHJKPXSVOOSMQ-UHFFFAOYSA-N
MW207.07 g/mol
LogP4.26
Rot. Bonds1

About 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene

1,5-dichloro-2-fluoro-3-propan-2-ylbenzene (PubChem CID 118361843) has the molecular formula C9H9Cl2F and a molecular weight of 207.07 g/mol. Its IUPAC name is 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
PubChem CID118361843
Molecular FormulaC9H9Cl2F
Molecular Weight207.07 g/mol
Exact Mass206.01
IUPAC Name1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C9H9Cl2F/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,1-2H3
InChIKeyCIHJKPXSVOOSMQ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 54.26
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

(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol
CID 117291228
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene
CID 142366544
1-(3,5-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 77131124
2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
CID 77129186
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene
CID 118359557
1-chloro-2-fluoro-5-[(4R)-5-fluoro-4-methylpentyl]-3-propan-2-ylbenzene
CID 162179859
(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine
CID 146212837
2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene
CID 135252077
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine
CID 139310728

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene?
The IUPAC name of 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene (CID 118361843) is 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene?
The canonical SMILES for 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene is CC(C)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene?
The InChIKey is CIHJKPXSVOOSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,1-2H3.
What are the key properties of 1,5-dichloro-2-fluoro-3-propan-2-ylbenzene?
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene has a molecular weight of 207.07 g/mol, XLogP of 4.26, 1 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-propan-2-ylbenzene is sourced from PubChem (CID 118361843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).