1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene

C12H14ClF3O — CID 55134945

IUPAC1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(Cl)CC(F)(F)F)cc1
InChIInChI=1S/C12H14ClF3O/c1-17-7-6-9-2-4-10(5-3-9)11(13)8-12(14,15)16/h2-5,11H,6-8H2,1H3
InChIKeyPGEGCOJUGNNFFL-UHFFFAOYSA-N
MW266.69 g/mol
LogP4.11
Rot. Bonds5

About 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene

1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene (PubChem CID 55134945) has the molecular formula C12H14ClF3O and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
PubChem CID55134945
Molecular FormulaC12H14ClF3O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(Cl)CC(F)(F)F)cc1
InChIInChI=1S/C12H14ClF3O/c1-17-7-6-9-2-4-10(5-3-9)11(13)8-12(14,15)16/h2-5,11H,6-8H2,1H3
InChIKeyPGEGCOJUGNNFFL-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 54.11
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

N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
CID 43489780
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
1-(1-chloro-3,3,3-trifluoropropyl)-4-fluorobenzene
CID 61083121
1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
CID 61085120
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
2,2,3,3,3-pentafluoro-1-[4-(2-methoxyethyl)phenyl]-N-methylpropan-1-amine
CID 43482337
2,2-difluoro-1-[4-(2-methoxyethyl)phenyl]ethanol
CID 104632700
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198335
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
1-[bromo-(4-fluorophenyl)methyl]-4-(2-methoxyethyl)benzene
CID 61096683

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene (CID 55134945) is 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene is COCCc1ccc(C(Cl)CC(F)(F)F)cc1.
What is the InChIKey of 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene?
The InChIKey is PGEGCOJUGNNFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3O/c1-17-7-6-9-2-4-10(5-3-9)11(13)8-12(14,15)16/h2-5,11H,6-8H2,1H3.
What are the key properties of 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene?
1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene has a molecular weight of 266.69 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 55134945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).