(1-fluoro-2-methoxypropan-2-yl)benzene

C10H13FO — CID 10464708

IUPAC(1-fluoro-2-methoxypropan-2-yl)benzene
SMILESCOC(C)(CF)c1ccccc1
InChIInChI=1S/C10H13FO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyRJLOOPCIOZKZKQ-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.52
Rot. Bonds3

About (1-fluoro-2-methoxypropan-2-yl)benzene

(1-fluoro-2-methoxypropan-2-yl)benzene (PubChem CID 10464708) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (1-fluoro-2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name(1-fluoro-2-methoxypropan-2-yl)benzene
PubChem CID10464708
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(1-fluoro-2-methoxypropan-2-yl)benzene
SMILESCOC(C)(CF)c1ccccc1
InChIInChI=1S/C10H13FO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyRJLOOPCIOZKZKQ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Styrene Oxide
CID 7276
Cumene Hydroperoxide
CID 6629
(S)-styrene oxide
CID 114946
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
1,4-Bis(Methoxymethyl)Benzene
CID 81239
alpha,alpha-Dimethylbenzyl isobutyrate
CID 11830590
Allyl benzyl ether
CID 84542

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-methoxypropan-2-yl)benzene?
The IUPAC name of (1-fluoro-2-methoxypropan-2-yl)benzene (CID 10464708) is (1-fluoro-2-methoxypropan-2-yl)benzene.
What is the SMILES notation for (1-fluoro-2-methoxypropan-2-yl)benzene?
The canonical SMILES for (1-fluoro-2-methoxypropan-2-yl)benzene is COC(C)(CF)c1ccccc1.
What is the InChIKey of (1-fluoro-2-methoxypropan-2-yl)benzene?
The InChIKey is RJLOOPCIOZKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (1-fluoro-2-methoxypropan-2-yl)benzene?
(1-fluoro-2-methoxypropan-2-yl)benzene has a molecular weight of 168.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 10464708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).