5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol

C17H19F2NO — CID 70102332

IUPAC5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol
SMILESNCC(CCCO)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c18-15-6-2-13(3-7-15)17(12-20,10-1-11-21)14-4-8-16(19)9-5-14/h2-9,21H,1,10-12,20H2
InChIKeyYEHBYYHUMUDGNS-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.98
Rot. Bonds6

About 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol

5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol (PubChem CID 70102332) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol
PubChem CID70102332
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol
SMILESNCC(CCCO)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c18-15-6-2-13(3-7-15)17(12-20,10-1-11-21)14-4-8-16(19)9-5-14/h2-9,21H,1,10-12,20H2
InChIKeyYEHBYYHUMUDGNS-UHFFFAOYSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol?
The IUPAC name of 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol (CID 70102332) is 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol.
What is the SMILES notation for 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol?
The canonical SMILES for 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol is NCC(CCCO)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol?
The InChIKey is YEHBYYHUMUDGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c18-15-6-2-13(3-7-15)17(12-20,10-1-11-21)14-4-8-16(19)9-5-14/h2-9,21H,1,10-12,20H2.
What are the key properties of 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol?
5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol has a molecular weight of 291.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-bis(4-fluorophenyl)pentan-1-ol is sourced from PubChem (CID 70102332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).