1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene

C14H16ClF3O — CID 143895164

IUPAC1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(COC[C@H]2CC[C@@H](Cl)C2)c1
InChIInChI=1S/C14H16ClF3O/c15-13-5-4-11(7-13)9-19-8-10-2-1-3-12(6-10)14(16,17)18/h1-3,6,11,13H,4-5,7-9H2/t11-,13+/m0/s1
InChIKeyHPDWSVXZOXYBPW-WCQYABFASA-N
MW292.73 g/mol
LogP4.63
Rot. Bonds4

About 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene

1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene (PubChem CID 143895164) has the molecular formula C14H16ClF3O and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene
PubChem CID143895164
Molecular FormulaC14H16ClF3O
Molecular Weight292.73 g/mol
Exact Mass292.08
IUPAC Name1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(COC[C@H]2CC[C@@H](Cl)C2)c1
InChIInChI=1S/C14H16ClF3O/c15-13-5-4-11(7-13)9-19-8-10-2-1-3-12(6-10)14(16,17)18/h1-3,6,11,13H,4-5,7-9H2/t11-,13+/m0/s1
InChIKeyHPDWSVXZOXYBPW-WCQYABFASA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 54.63
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

1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine
CID 11463820
(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine
CID 71137466
3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 79465808
5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-3-trityl-1,2,4,5,6,7-hexahydrobenzimidazole
CID 23001267
(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine
CID 52917913
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
5-[[3-(trifluoromethyl)phenyl]methoxy]pentanal
CID 88661890
(3aS,6aR)-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 135388155
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
[3-(trifluoromethyl)phenyl]methyl (2R,4S)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 90353891

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene (CID 143895164) is 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(COC[C@H]2CC[C@@H](Cl)C2)c1.
What is the InChIKey of 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene?
The InChIKey is HPDWSVXZOXYBPW-WCQYABFASA-N. The full InChI is InChI=1S/C14H16ClF3O/c15-13-5-4-11(7-13)9-19-8-10-2-1-3-12(6-10)14(16,17)18/h1-3,6,11,13H,4-5,7-9H2/t11-,13+/m0/s1.
What are the key properties of 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene?
1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene has a molecular weight of 292.73 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 143895164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).