(1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran

C19H21FO — CID 154713774

IUPAC(1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran
SMILESCC(C)C[C@H]1O[C@](CF)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21FO/c1-14(2)12-18-16-10-6-7-11-17(16)19(13-20,21-18)15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3/t18-,19-/m1/s1
InChIKeyCCOHGHLFYIOGIA-RTBURBONSA-N
MW284.37 g/mol
LogP5.02
Rot. Bonds4

About (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran

(1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran (PubChem CID 154713774) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran.

Molecular Properties

Compound Name(1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran
PubChem CID154713774
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name(1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran
SMILESCC(C)C[C@H]1O[C@](CF)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21FO/c1-14(2)12-18-16-10-6-7-11-17(16)19(13-20,21-18)15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3/t18-,19-/m1/s1
InChIKeyCCOHGHLFYIOGIA-RTBURBONSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dihydroisobenzofuran
CID 10327
Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Ethyl trityl ether
CID 294563
1,3-Dihydro-3,3-dimethyl-1-phenylisobenzofuran-1-ol
CID 102543
Bis[bis(2-methylphenyl)methyl] ether
CID 4248814
(1R,7S,7aR)-1-(2-fluorophenyl)-4-methyl-7-prop-1-en-2-yl-1,6,7,7a-tetrahydro-2-benzofuran
CID 46186906
(3aR,6aS)-5-hexyl-6-phenyl-6a-phenylmethoxy-2,3,3a,4-tetrahydro-1H-pentalene
CID 52937033
1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
Furan, 2,5-diphenyl-tetrahydro-
CID 576417
Diphenylmethyl propyl ether
CID 4651659
Tert-butyl diphenylmethyl ether
CID 255804

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran?
The IUPAC name of (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran (CID 154713774) is (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran.
What is the SMILES notation for (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran?
The canonical SMILES for (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran is CC(C)C[C@H]1O[C@](CF)(c2ccccc2)c2ccccc21.
What is the InChIKey of (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran?
The InChIKey is CCOHGHLFYIOGIA-RTBURBONSA-N. The full InChI is InChI=1S/C19H21FO/c1-14(2)12-18-16-10-6-7-11-17(16)19(13-20,21-18)15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran?
(1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran has a molecular weight of 284.37 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-(fluoromethyl)-1-(2-methylpropyl)-3-phenyl-1H-2-benzofuran is sourced from PubChem (CID 154713774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).