1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene

C14H20F2O2 — CID 118188287

IUPAC1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1COCC(C)(F)F
InChIInChI=1S/C14H20F2O2/c1-10(2)11-5-6-12(13(7-11)17-4)8-18-9-14(3,15)16/h5-7,10H,8-9H2,1-4H3
InChIKeyQXHJWJLRYKCSIX-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.99
Rot. Bonds6

About 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene

1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene (PubChem CID 118188287) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene
PubChem CID118188287
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1COCC(C)(F)F
InChIInChI=1S/C14H20F2O2/c1-10(2)11-5-6-12(13(7-11)17-4)8-18-9-14(3,15)16/h5-7,10H,8-9H2,1-4H3
InChIKeyQXHJWJLRYKCSIX-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene
CID 134203256
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
CID 82353795
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
CID 115258703
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116851139
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene (CID 118188287) is 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene is COc1cc(C(C)C)ccc1COCC(C)(F)F.
What is the InChIKey of 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene?
The InChIKey is QXHJWJLRYKCSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-10(2)11-5-6-12(13(7-11)17-4)8-18-9-14(3,15)16/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene?
1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene has a molecular weight of 258.31 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 118188287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).