1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene

C14H19FO — CID 84725137

IUPAC1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
SMILESCOc1ccccc1C1(CF)CCCCC1
InChIInChI=1S/C14H19FO/c1-16-13-8-4-3-7-12(13)14(11-15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyUPNOEGOYEZXKJY-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.87
Rot. Bonds3

About 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene

1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene (PubChem CID 84725137) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
PubChem CID84725137
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
SMILESCOc1ccccc1C1(CF)CCCCC1
InChIInChI=1S/C14H19FO/c1-16-13-8-4-3-7-12(13)14(11-15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyUPNOEGOYEZXKJY-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
2-[1-(fluoromethyl)cyclohexyl]phenol
CID 84722739
1-[1-(isocyanomethyl)cyclobutyl]-2-methoxybenzene
CID 105453653
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091858
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008172
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene?
The IUPAC name of 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene (CID 84725137) is 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene.
What is the SMILES notation for 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene?
The canonical SMILES for 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene is COc1ccccc1C1(CF)CCCCC1.
What is the InChIKey of 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene?
The InChIKey is UPNOEGOYEZXKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-16-13-8-4-3-7-12(13)14(11-15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene?
1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene has a molecular weight of 222.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene is sourced from PubChem (CID 84725137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).