1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene

C17H17FO2 — CID 174681914

IUPAC1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene
SMILESFc1ccccc1OCC1(COc2ccccc2)CC1
InChIInChI=1S/C17H17FO2/c18-15-8-4-5-9-16(15)20-13-17(10-11-17)12-19-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyWUDBRQRCRJZRJZ-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.06
Rot. Bonds6

About 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene

1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene (PubChem CID 174681914) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene.

Molecular Properties

Compound Name1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene
PubChem CID174681914
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene
SMILESFc1ccccc1OCC1(COc2ccccc2)CC1
InChIInChI=1S/C17H17FO2/c18-15-8-4-5-9-16(15)20-13-17(10-11-17)12-19-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyWUDBRQRCRJZRJZ-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497942
3-[4-[[1-[(2-fluorophenoxy)methyl]cyclopropyl]methoxy]phenyl]hex-4-ynoic acid
CID 58031856
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
CID 65008158
2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497318
1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene
CID 141322110
1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82087901
4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline
CID 61026671
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080455
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene?
The IUPAC name of 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene (CID 174681914) is 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene.
What is the SMILES notation for 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene?
The canonical SMILES for 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene is Fc1ccccc1OCC1(COc2ccccc2)CC1.
What is the InChIKey of 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene?
The InChIKey is WUDBRQRCRJZRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c18-15-8-4-5-9-16(15)20-13-17(10-11-17)12-19-14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene?
1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene has a molecular weight of 272.32 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene is sourced from PubChem (CID 174681914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).