1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol

C12H14F2N4O — CID 155675453

IUPAC1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCCC(O)(F)c1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C12H14F2N4O/c1-2-3-6-12(14,19)10-5-4-8(13)7-9(10)11-15-17-18-16-11/h4-5,7,19H,2-3,6H2,1H3,(H,15,16,17,18)
InChIKeyKVVXKNUXEPPNRE-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.31
Rot. Bonds5

About 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol

1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol (PubChem CID 155675453) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
PubChem CID155675453
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCCC(O)(F)c1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C12H14F2N4O/c1-2-3-6-12(14,19)10-5-4-8(13)7-9(10)11-15-17-18-16-11/h4-5,7,19H,2-3,6H2,1H3,(H,15,16,17,18)
InChIKeyKVVXKNUXEPPNRE-UHFFFAOYSA-N
XLogP2.31
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The IUPAC name of 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol (CID 155675453) is 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol.
What is the SMILES notation for 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The canonical SMILES for 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol is CCCCC(O)(F)c1ccc(F)cc1-c1nn[nH]n1.
What is the InChIKey of 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The InChIKey is KVVXKNUXEPPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-2-3-6-12(14,19)10-5-4-8(13)7-9(10)11-15-17-18-16-11/h4-5,7,19H,2-3,6H2,1H3,(H,15,16,17,18).
What are the key properties of 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol has a molecular weight of 268.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol is sourced from PubChem (CID 155675453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).