1-fluoro-3-[4-(methoxymethyl)phenyl]benzene

C14H13FO — CID 143262024

IUPAC1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H13FO/c1-16-10-11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-9H,10H2,1H3
InChIKeyLLPITQGRPSYEFL-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.64
Rot. Bonds3

About 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene

1-fluoro-3-[4-(methoxymethyl)phenyl]benzene (PubChem CID 143262024) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
PubChem CID143262024
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H13FO/c1-16-10-11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-9H,10H2,1H3
InChIKeyLLPITQGRPSYEFL-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(methoxymethyl)-4-phenylbenzene
CID 14906855
formaldehyde;1-(methoxymethyl)-4-phenylbenzene
CID 168878800
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane
CID 90170463
4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58607563
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477
4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82542782
4-(3-fluorophenyl)-N,N-dimethylaniline
CID 54450896
1-ethylsulfanyl-4-(3-fluorophenyl)benzene
CID 91658089

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene (CID 143262024) is 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene is COCc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene?
The InChIKey is LLPITQGRPSYEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-16-10-11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-9H,10H2,1H3.
What are the key properties of 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene?
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene has a molecular weight of 216.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-(methoxymethyl)phenyl]benzene is sourced from PubChem (CID 143262024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).