1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene

C15H16ClF3O2 — CID 153340313

IUPAC1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene
SMILESCOCOCC1=C(c2ccc(Cl)cc2)CCC1C(F)(F)F
InChIInChI=1S/C15H16ClF3O2/c1-20-9-21-8-13-12(6-7-14(13)15(17,18)19)10-2-4-11(16)5-3-10/h2-5,14H,6-9H2,1H3
InChIKeyYSDNPDYLTHANQB-UHFFFAOYSA-N
MW320.74 g/mol
LogP4.69
Rot. Bonds5

About 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene

1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene (PubChem CID 153340313) has the molecular formula C15H16ClF3O2 and a molecular weight of 320.74 g/mol. Its IUPAC name is 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene
PubChem CID153340313
Molecular FormulaC15H16ClF3O2
Molecular Weight320.74 g/mol
Exact Mass320.08
IUPAC Name1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene
SMILESCOCOCC1=C(c2ccc(Cl)cc2)CCC1C(F)(F)F
InChIInChI=1S/C15H16ClF3O2/c1-20-9-21-8-13-12(6-7-14(13)15(17,18)19)10-2-4-11(16)5-3-10/h2-5,14H,6-9H2,1H3
InChIKeyYSDNPDYLTHANQB-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 152545587
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene
CID 173189822
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
[(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol
CID 168859026
[1-[3-(4-chlorophenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 56932951
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole
CID 174823810
methyl 6-(4-chlorophenyl)-2,3,3a,4,7,7a-hexahydro-1H-indene-5-carboxylate
CID 164568843
2-bromo-4-(4-chlorophenyl)sulfanyl-1-(methoxymethoxymethyl)benzene
CID 58404087

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene?
The IUPAC name of 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene (CID 153340313) is 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene is COCOCC1=C(c2ccc(Cl)cc2)CCC1C(F)(F)F.
What is the InChIKey of 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene?
The InChIKey is YSDNPDYLTHANQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3O2/c1-20-9-21-8-13-12(6-7-14(13)15(17,18)19)10-2-4-11(16)5-3-10/h2-5,14H,6-9H2,1H3.
What are the key properties of 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene?
1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene has a molecular weight of 320.74 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(methoxymethoxymethyl)-3-(trifluoromethyl)cyclopenten-1-yl]benzene is sourced from PubChem (CID 153340313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).