(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone

C16H19F3O2 — CID 116750643

IUPAC(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCOC1(C(=O)c2cccc(C(F)(F)F)c2)CCCCCC1
InChIInChI=1S/C16H19F3O2/c1-21-15(9-4-2-3-5-10-15)14(20)12-7-6-8-13(11-12)16(17,18)19/h6-8,11H,2-5,9-10H2,1H3
InChIKeyHQNNSOBIYDDQNT-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.63
Rot. Bonds3

About (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone

(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 116750643) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID116750643
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCOC1(C(=O)c2cccc(C(F)(F)F)c2)CCCCCC1
InChIInChI=1S/C16H19F3O2/c1-21-15(9-4-2-3-5-10-15)14(20)12-7-6-8-13(11-12)16(17,18)19/h6-8,11H,2-5,9-10H2,1H3
InChIKeyHQNNSOBIYDDQNT-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116749027
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(4-methoxyphenyl) 3-(trifluoromethyl)benzoate
CID 532434

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone (CID 116750643) is (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone is COC1(C(=O)c2cccc(C(F)(F)F)c2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is HQNNSOBIYDDQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c1-21-15(9-4-2-3-5-10-15)14(20)12-7-6-8-13(11-12)16(17,18)19/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone?
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.32 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116750643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).