CID 174140106

C5H4B2F6 — CID 174140106

IUPAC—
SMILES[B]C([B])C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4B2F6/c1-3(2(6)7,4(8,9)10)5(11,12)13/h2H,1H3
InChIKeyRVMAMLZJKPKVHJ-UHFFFAOYSA-N
MW199.70 g/mol
LogP2.20
Rot. Bonds1

About CID 174140106

CID 174140106 (PubChem CID 174140106) has the molecular formula C5H4B2F6 and a molecular weight of 199.70 g/mol.

Molecular Properties

Compound NameCID 174140106
PubChem CID174140106
Molecular FormulaC5H4B2F6
Molecular Weight199.70 g/mol
Exact Mass200.04
IUPAC Name—
SMILES[B]C([B])C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4B2F6/c1-3(2(6)7,4(8,9)10)5(11,12)13/h2H,1H3
InChIKeyRVMAMLZJKPKVHJ-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 52.20
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

3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
CID 166589252
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689
1,3,3-trifluoro-2-(fluoromethyl)butane
CID 13207097
methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
CID 161018111
3-fluoro-3,4-dimethylhexane
CID 153400772
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040

Frequently Asked Questions

What is the IUPAC name of CID 174140106?
The IUPAC name of CID 174140106 (CID 174140106) is not available.
What is the SMILES notation for CID 174140106?
The canonical SMILES for CID 174140106 is [B]C([B])C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of CID 174140106?
The InChIKey is RVMAMLZJKPKVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4B2F6/c1-3(2(6)7,4(8,9)10)5(11,12)13/h2H,1H3.
What are the key properties of CID 174140106?
CID 174140106 has a molecular weight of 199.70 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174140106 is sourced from PubChem (CID 174140106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).