1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene

C10H7F7O — CID 91442545

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
SMILESCOc1cccc(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C10H7F7O/c1-18-7-4-2-3-6(5-7)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
InChIKeyCYNFCXOQEXLOAI-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.98
Rot. Bonds2

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene (PubChem CID 91442545) has the molecular formula C10H7F7O and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
PubChem CID91442545
Molecular FormulaC10H7F7O
Molecular Weight276.15 g/mol
Exact Mass276.04
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
SMILESCOc1cccc(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C10H7F7O/c1-18-7-4-2-3-6(5-7)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
InChIKeyCYNFCXOQEXLOAI-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
3,3,3-trifluoro-2-(3-methoxyphenyl)-2-methylpropanenitrile
CID 139942467
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
CID 175177821
2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511487
1,3,5-tris[2,2-difluoro-2-(3-methoxyphenyl)ethyl]-1,3,5-triazinane
CID 102292739

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene (CID 91442545) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene is COc1cccc(C(F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene?
The InChIKey is CYNFCXOQEXLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7O/c1-18-7-4-2-3-6(5-7)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene has a molecular weight of 276.15 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene is sourced from PubChem (CID 91442545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).