1-chloro-4-(3-chloro-1-fluoropropyl)benzene

C9H9Cl2F — CID 23180218

IUPAC1-chloro-4-(3-chloro-1-fluoropropyl)benzene
SMILESFC(CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C9H9Cl2F/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9H,5-6H2
InChIKeyXFTCPPODDGKATC-UHFFFAOYSA-N
MW207.08 g/mol
LogP3.98
Rot. Bonds3

About 1-chloro-4-(3-chloro-1-fluoropropyl)benzene

1-chloro-4-(3-chloro-1-fluoropropyl)benzene (PubChem CID 23180218) has the molecular formula C9H9Cl2F and a molecular weight of 207.08 g/mol. Its IUPAC name is 1-chloro-4-(3-chloro-1-fluoropropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-chloro-1-fluoropropyl)benzene
PubChem CID23180218
Molecular FormulaC9H9Cl2F
Molecular Weight207.08 g/mol
Exact Mass206.01
IUPAC Name1-chloro-4-(3-chloro-1-fluoropropyl)benzene
SMILESFC(CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C9H9Cl2F/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9H,5-6H2
InChIKeyXFTCPPODDGKATC-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-bromo-3-chloropropyl]-4-chlorobenzene
CID 99639334
1-chloro-4-(1-fluorobut-3-enyl)benzene
CID 86040171
(4-chlorophenyl)-fluoromethanol
CID 174952192
1-chloro-4-(1,3-dichloropropan-2-yl)benzene
CID 79452794
1-chloro-4-(5-chloropentan-2-yl)benzene
CID 154098348
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
CID 39380952
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride
CID 175581102
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
3,3-bis(4-chlorophenyl)propan-1-amine
CID 15014585
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chloro-1-fluoropropyl)benzene?
The IUPAC name of 1-chloro-4-(3-chloro-1-fluoropropyl)benzene (CID 23180218) is 1-chloro-4-(3-chloro-1-fluoropropyl)benzene.
What is the SMILES notation for 1-chloro-4-(3-chloro-1-fluoropropyl)benzene?
The canonical SMILES for 1-chloro-4-(3-chloro-1-fluoropropyl)benzene is FC(CCCl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(3-chloro-1-fluoropropyl)benzene?
The InChIKey is XFTCPPODDGKATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9H,5-6H2.
What are the key properties of 1-chloro-4-(3-chloro-1-fluoropropyl)benzene?
1-chloro-4-(3-chloro-1-fluoropropyl)benzene has a molecular weight of 207.08 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloro-1-fluoropropyl)benzene is sourced from PubChem (CID 23180218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).