CID 175625880

C10H17BFN — CID 175625880

IUPAC—
SMILES[B]C1(F)CC12CC(C(C)C)N(C)C2
InChIInChI=1S/C10H17BFN/c1-7(2)8-4-9(6-13(8)3)5-10(9,11)12/h7-8H,4-6H2,1-3H3
InChIKeyRVWLKKHWZTUHJS-UHFFFAOYSA-N
MW181.06 g/mol
LogP1.57
Rot. Bonds1

About CID 175625880

CID 175625880 (PubChem CID 175625880) has the molecular formula C10H17BFN and a molecular weight of 181.06 g/mol.

Molecular Properties

Compound NameCID 175625880
PubChem CID175625880
Molecular FormulaC10H17BFN
Molecular Weight181.06 g/mol
Exact Mass181.14
IUPAC Name—
SMILES[B]C1(F)CC12CC(C(C)C)N(C)C2
InChIInChI=1S/C10H17BFN/c1-7(2)8-4-9(6-13(8)3)5-10(9,11)12/h7-8H,4-6H2,1-3H3
InChIKeyRVWLKKHWZTUHJS-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175625722
CID 175625722
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane
CID 149057571
ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
CID 170772142
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
CID 164942032
1-methyl-2-propan-2-ylazetidine
CID 23588958
2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane
CID 177157431
CID 163426704
CID 163426704
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine
CID 123801433
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
[5,6-di(propan-2-yl)-5-azaspiro[2.4]heptan-2-yl]phosphane
CID 146374536

Frequently Asked Questions

What is the IUPAC name of CID 175625880?
The IUPAC name of CID 175625880 (CID 175625880) is not available.
What is the SMILES notation for CID 175625880?
The canonical SMILES for CID 175625880 is [B]C1(F)CC12CC(C(C)C)N(C)C2.
What is the InChIKey of CID 175625880?
The InChIKey is RVWLKKHWZTUHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BFN/c1-7(2)8-4-9(6-13(8)3)5-10(9,11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of CID 175625880?
CID 175625880 has a molecular weight of 181.06 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175625880 is sourced from PubChem (CID 175625880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).