CID 59892777

C7H13BFNO — CID 59892777

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)C(NC)C1F
InChIInChI=1S/C7H13BFNO/c1-3-4-6(10-2)5(9)7(8)11-4/h4-7,10H,3H2,1-2H3/t4-,5?,6?,7-/m1/s1
InChIKeyRSXWXXMABWIMQH-WMXYBCMPSA-N
MW157.00 g/mol
LogP0.22
Rot. Bonds2

About CID 59892777

CID 59892777 (PubChem CID 59892777) has the molecular formula C7H13BFNO and a molecular weight of 157.00 g/mol.

Molecular Properties

Compound NameCID 59892777
PubChem CID59892777
Molecular FormulaC7H13BFNO
Molecular Weight157.00 g/mol
Exact Mass157.11
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)C(NC)C1F
InChIInChI=1S/C7H13BFNO/c1-3-4-6(10-2)5(9)7(8)11-4/h4-7,10H,3H2,1-2H3/t4-,5?,6?,7-/m1/s1
InChIKeyRSXWXXMABWIMQH-WMXYBCMPSA-N
XLogP0.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.00
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59892712
CID 59892712
N-(2-fluoroethyl)-2-methyloxolan-3-amine
CID 82725574
(2R,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994987
(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994990
(2R,4R)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994994
(2S,4R)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994998
(2R,4S)-4-(2-fluoroethoxy)-2-propylpyrrolidine
CID 99995001
(2S,4S)-4-(2-fluoroethoxy)-2-propylpyrrolidine
CID 99995002
(2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
CID 99995005
(2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
CID 99995008
2-Ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 102568644
4-(2-Fluoro-ethoxy)-2-propyl-pyrrolidine
CID 102568645

Frequently Asked Questions

What is the IUPAC name of CID 59892777?
The IUPAC name of CID 59892777 (CID 59892777) is not available.
What is the SMILES notation for CID 59892777?
The canonical SMILES for CID 59892777 is [B][C@@H]1O[C@H](CC)C(NC)C1F.
What is the InChIKey of CID 59892777?
The InChIKey is RSXWXXMABWIMQH-WMXYBCMPSA-N. The full InChI is InChI=1S/C7H13BFNO/c1-3-4-6(10-2)5(9)7(8)11-4/h4-7,10H,3H2,1-2H3/t4-,5?,6?,7-/m1/s1.
What are the key properties of CID 59892777?
CID 59892777 has a molecular weight of 157.00 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59892777 is sourced from PubChem (CID 59892777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).