2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene

C10H10ClF — CID 155293823

IUPAC2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
SMILESFc1ccc(CC2CC2)cc1Cl
InChIInChI=1S/C10H10ClF/c11-9-6-8(3-4-10(9)12)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyRIDVLMKDVNEZAH-UHFFFAOYSA-N
MW184.64 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene

2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene (PubChem CID 155293823) has the molecular formula C10H10ClF and a molecular weight of 184.64 g/mol. Its IUPAC name is 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
PubChem CID155293823
Molecular FormulaC10H10ClF
Molecular Weight184.64 g/mol
Exact Mass184.05
IUPAC Name2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
SMILESFc1ccc(CC2CC2)cc1Cl
InChIInChI=1S/C10H10ClF/c11-9-6-8(3-4-10(9)12)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyRIDVLMKDVNEZAH-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
CID 106471356
1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
CID 107888265
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene?
The IUPAC name of 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene (CID 155293823) is 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene is Fc1ccc(CC2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene?
The InChIKey is RIDVLMKDVNEZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF/c11-9-6-8(3-4-10(9)12)5-7-1-2-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene?
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene has a molecular weight of 184.64 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene is sourced from PubChem (CID 155293823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).