(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene

C10H11F3O — CID 176962079

IUPAC(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
SMILESCOCC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-14-7-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyADQCQRNOWCINIL-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.98
Rot. Bonds3

About (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene

(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene (PubChem CID 176962079) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
PubChem CID176962079
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
SMILESCOCC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-14-7-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyADQCQRNOWCINIL-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 139809698
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CID 170769843
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
benzene;2-methoxy-1-phenylethanol
CID 174622919
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene
CID 22140522
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate
CID 156905517
(1,1,1-trifluoro-4-hydroxysulfanylbutan-2-yl)benzene
CID 143594544
O-(2-methoxy-1-phenylethyl)hydroxylamine
CID 14103730

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene?
The IUPAC name of (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene (CID 176962079) is (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene.
What is the SMILES notation for (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene?
The canonical SMILES for (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene is COCC(c1ccccc1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene?
The InChIKey is ADQCQRNOWCINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-14-7-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene?
(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene has a molecular weight of 204.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-3-methoxypropan-2-yl)benzene is sourced from PubChem (CID 176962079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).