CID 163479380

C8H16BF — CID 163479380

IUPAC—
SMILES[B][C@@H](C)[C@@H](C)C(C)C(C)F
InChIInChI=1S/C8H16BF/c1-5(7(3)9)6(2)8(4)10/h5-8H,1-4H3/t5-,6?,7-,8?/m0/s1
InChIKeyODLGKNAJHSFGJO-DNBGNTRDSA-N
MW142.03 g/mol
LogP2.59
Rot. Bonds3

About CID 163479380

CID 163479380 (PubChem CID 163479380) has the molecular formula C8H16BF and a molecular weight of 142.03 g/mol.

Molecular Properties

Compound NameCID 163479380
PubChem CID163479380
Molecular FormulaC8H16BF
Molecular Weight142.03 g/mol
Exact Mass142.13
IUPAC Name—
SMILES[B][C@@H](C)[C@@H](C)C(C)C(C)F
InChIInChI=1S/C8H16BF/c1-5(7(3)9)6(2)8(4)10/h5-8H,1-4H3/t5-,6?,7-,8?/m0/s1
InChIKeyODLGKNAJHSFGJO-DNBGNTRDSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.03
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
1,1-difluoroethane
CID 6368
methane;1,1,2-trifluoropropane
CID 22325848
CID 59043139
CID 59043139
gold;trifluoro(methyl)phosphanium
CID 158866075
4-fluoro-3-methylpent-1-ene
CID 123956032
3,5-difluoro-2,4,6-trimethylheptane
CID 170657718
3-fluoro-2,4,5-trimethylhexane
CID 145154755
CID 72640013
CID 72640013

Frequently Asked Questions

What is the IUPAC name of CID 163479380?
The IUPAC name of CID 163479380 (CID 163479380) is not available.
What is the SMILES notation for CID 163479380?
The canonical SMILES for CID 163479380 is [B][C@@H](C)[C@@H](C)C(C)C(C)F.
What is the InChIKey of CID 163479380?
The InChIKey is ODLGKNAJHSFGJO-DNBGNTRDSA-N. The full InChI is InChI=1S/C8H16BF/c1-5(7(3)9)6(2)8(4)10/h5-8H,1-4H3/t5-,6?,7-,8?/m0/s1.
What are the key properties of CID 163479380?
CID 163479380 has a molecular weight of 142.03 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163479380 is sourced from PubChem (CID 163479380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).