(3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol

C20H26FNO — CID 138375690

IUPAC(3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol
SMILESCN(CCCC[C@@](F)(CCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26FNO/c1-22(19-12-6-3-7-13-19)16-9-8-14-20(21,15-17-23)18-10-4-2-5-11-18/h2-7,10-13,23H,8-9,14-17H2,1H3/t20-/m1/s1
InChIKeyYYMSZIQQFYSARM-HXUWFJFHSA-N
MW315.43 g/mol
LogP4.54
Rot. Bonds9

About (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol

(3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol (PubChem CID 138375690) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol.

Molecular Properties

Compound Name(3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol
PubChem CID138375690
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name(3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol
SMILESCN(CCCC[C@@](F)(CCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26FNO/c1-22(19-12-6-3-7-13-19)16-9-8-14-20(21,15-17-23)18-10-4-2-5-11-18/h2-7,10-13,23H,8-9,14-17H2,1H3/t20-/m1/s1
InChIKeyYYMSZIQQFYSARM-HXUWFJFHSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol?
The IUPAC name of (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol (CID 138375690) is (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol.
What is the SMILES notation for (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol?
The canonical SMILES for (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol is CN(CCCC[C@@](F)(CCO)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol?
The InChIKey is YYMSZIQQFYSARM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26FNO/c1-22(19-12-6-3-7-13-19)16-9-8-14-20(21,15-17-23)18-10-4-2-5-11-18/h2-7,10-13,23H,8-9,14-17H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol?
(3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol has a molecular weight of 315.43 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-7-(N-methylanilino)-3-phenylheptan-1-ol is sourced from PubChem (CID 138375690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).