2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene

C11H10ClF3O — CID 174897462

IUPAC2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(C2CC2)c(CCl)c1
InChIInChI=1S/C11H10ClF3O/c12-6-8-5-9(16-11(13,14)15)3-4-10(8)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyKHWNWGXJGPYDSJ-UHFFFAOYSA-N
MW250.65 g/mol
LogP4.20
Rot. Bonds3

About 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene

2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene (PubChem CID 174897462) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
PubChem CID174897462
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(C2CC2)c(CCl)c1
InChIInChI=1S/C11H10ClF3O/c12-6-8-5-9(16-11(13,14)15)3-4-10(8)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyKHWNWGXJGPYDSJ-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
1-bromo-3-[2-(chloromethyl)-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134616058
3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
CID 139510289
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane
CID 166158947
N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260
ethyl 5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1-methylpyrazole-3-carboxylate
CID 90277058

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene (CID 174897462) is 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(C2CC2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene?
The InChIKey is KHWNWGXJGPYDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-6-8-5-9(16-11(13,14)15)3-4-10(8)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene?
2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene has a molecular weight of 250.65 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 174897462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).