1-(cyclohexylmethoxy)-3-fluorobenzene

C13H17FO — CID 60731171

IUPAC1-(cyclohexylmethoxy)-3-fluorobenzene
SMILESFc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C13H17FO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyJPQPZPKUGFMTPZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.78
Rot. Bonds3

About 1-(cyclohexylmethoxy)-3-fluorobenzene

1-(cyclohexylmethoxy)-3-fluorobenzene (PubChem CID 60731171) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-3-fluorobenzene.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-3-fluorobenzene
PubChem CID60731171
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-(cyclohexylmethoxy)-3-fluorobenzene
SMILESFc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C13H17FO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyJPQPZPKUGFMTPZ-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
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3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
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1-(cyclohexylmethoxy)-3-ethylbenzene
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3-(cyclooctylmethoxy)benzoic acid
CID 58347494
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CID 61344449
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-3-fluorobenzene?
The IUPAC name of 1-(cyclohexylmethoxy)-3-fluorobenzene (CID 60731171) is 1-(cyclohexylmethoxy)-3-fluorobenzene.
What is the SMILES notation for 1-(cyclohexylmethoxy)-3-fluorobenzene?
The canonical SMILES for 1-(cyclohexylmethoxy)-3-fluorobenzene is Fc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethoxy)-3-fluorobenzene?
The InChIKey is JPQPZPKUGFMTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2.
What are the key properties of 1-(cyclohexylmethoxy)-3-fluorobenzene?
1-(cyclohexylmethoxy)-3-fluorobenzene has a molecular weight of 208.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-3-fluorobenzene is sourced from PubChem (CID 60731171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).