4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene

C12H13ClF2 — CID 64506874

IUPAC4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene
SMILESFc1ccc(CCC(Cl)C2CC2)cc1F
InChIInChI=1S/C12H13ClF2/c13-10(9-3-4-9)5-1-8-2-6-11(14)12(15)7-8/h2,6-7,9-10H,1,3-5H2
InChIKeySLQBOGLLNZRWLL-UHFFFAOYSA-N
MW230.68 g/mol
LogP3.91
Rot. Bonds4

About 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene

4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene (PubChem CID 64506874) has the molecular formula C12H13ClF2 and a molecular weight of 230.68 g/mol. Its IUPAC name is 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene
PubChem CID64506874
Molecular FormulaC12H13ClF2
Molecular Weight230.68 g/mol
Exact Mass230.07
IUPAC Name4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene
SMILESFc1ccc(CCC(Cl)C2CC2)cc1F
InChIInChI=1S/C12H13ClF2/c13-10(9-3-4-9)5-1-8-2-6-11(14)12(15)7-8/h2,6-7,9-10H,1,3-5H2
InChIKeySLQBOGLLNZRWLL-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 53.91
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-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
CID 107897043
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
1-(3-chloro-3-cyclopropylpropyl)-3-fluoro-5-nitrobenzene
CID 112649037
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
1-(3-chloro-3-cyclopentylpropyl)-4-propan-2-ylbenzene
CID 113390416
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
CID 103041712
3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
CID 83155125
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene
CID 63471892
4-chloro-2-(3-chloro-3-cyclopropylpropyl)-1-nitrobenzene
CID 79580938

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene?
The IUPAC name of 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene (CID 64506874) is 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene is Fc1ccc(CCC(Cl)C2CC2)cc1F.
What is the InChIKey of 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene?
The InChIKey is SLQBOGLLNZRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2/c13-10(9-3-4-9)5-1-8-2-6-11(14)12(15)7-8/h2,6-7,9-10H,1,3-5H2.
What are the key properties of 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene?
4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene has a molecular weight of 230.68 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene is sourced from PubChem (CID 64506874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).