1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene

C13H17FO — CID 139460540

IUPAC1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(OCC2CC2)c1F
InChIInChI=1S/C13H17FO/c1-9(2)11-4-3-5-12(13(11)14)15-8-10-6-7-10/h3-5,9-10H,6-8H2,1-2H3
InChIKeyKLTTVHJKPSKQQL-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.74
Rot. Bonds4

About 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene

1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene (PubChem CID 139460540) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
PubChem CID139460540
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(OCC2CC2)c1F
InChIInChI=1S/C13H17FO/c1-9(2)11-4-3-5-12(13(11)14)15-8-10-6-7-10/h3-5,9-10H,6-8H2,1-2H3
InChIKeyKLTTVHJKPSKQQL-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
CID 174349481
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458
2-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]amino]sulfanylpentylamino]acetamide
CID 135198034
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
CID 114225343
4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene
CID 168725011
1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 165344503
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene?
The IUPAC name of 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene (CID 139460540) is 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene is CC(C)c1cccc(OCC2CC2)c1F.
What is the InChIKey of 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene?
The InChIKey is KLTTVHJKPSKQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-9(2)11-4-3-5-12(13(11)14)15-8-10-6-7-10/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene?
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene has a molecular weight of 208.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene is sourced from PubChem (CID 139460540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).