1-(fluoromethoxy)-4-propan-2-ylbenzene

C10H13FO — CID 90078626

IUPAC1-(fluoromethoxy)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(OCF)cc1
InChIInChI=1S/C10H13FO/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-6,8H,7H2,1-2H3
InChIKeyCJFZLIBEPAQWQM-UHFFFAOYSA-N
MW168.21 g/mol
LogP3.12
Rot. Bonds3

About 1-(fluoromethoxy)-4-propan-2-ylbenzene

1-(fluoromethoxy)-4-propan-2-ylbenzene (PubChem CID 90078626) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-propan-2-ylbenzene
PubChem CID90078626
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-(fluoromethoxy)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(OCF)cc1
InChIInChI=1S/C10H13FO/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-6,8H,7H2,1-2H3
InChIKeyCJFZLIBEPAQWQM-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-1-(4-propan-2-ylphenoxy)methanamine
CID 59918748
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
1-(4,4,5,5,5-pentafluoropentoxy)-4-propan-2-ylbenzene
CID 129166789
1-(difluoromethoxy)-4-(fluoromethoxy)benzene
CID 137408791
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
2-(4-propan-2-ylphenoxy)ethanethioamide
CID 7745462
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64766053
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-propan-2-ylbenzene?
The IUPAC name of 1-(fluoromethoxy)-4-propan-2-ylbenzene (CID 90078626) is 1-(fluoromethoxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(fluoromethoxy)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(fluoromethoxy)-4-propan-2-ylbenzene is CC(C)c1ccc(OCF)cc1.
What is the InChIKey of 1-(fluoromethoxy)-4-propan-2-ylbenzene?
The InChIKey is CJFZLIBEPAQWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-4-propan-2-ylbenzene?
1-(fluoromethoxy)-4-propan-2-ylbenzene has a molecular weight of 168.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 90078626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).