[chloro(trifluoromethyl)phosphoryl]-trifluoromethane

C2ClF6OP — CID 13410718

IUPAC[chloro(trifluoromethyl)phosphoryl]-trifluoromethane
SMILESO=P(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2ClF6OP/c3-11(10,1(4,5)6)2(7,8)9
InChIKeySWGOPBBULKNHRX-UHFFFAOYSA-N
MW220.44 g/mol
LogP3.54
Rot. Bonds

About [chloro(trifluoromethyl)phosphoryl]-trifluoromethane

[chloro(trifluoromethyl)phosphoryl]-trifluoromethane (PubChem CID 13410718) has the molecular formula C2ClF6OP and a molecular weight of 220.44 g/mol. Its IUPAC name is [chloro(trifluoromethyl)phosphoryl]-trifluoromethane.

Molecular Properties

Compound Name[chloro(trifluoromethyl)phosphoryl]-trifluoromethane
PubChem CID13410718
Molecular FormulaC2ClF6OP
Molecular Weight220.44 g/mol
Exact Mass219.93
IUPAC Name[chloro(trifluoromethyl)phosphoryl]-trifluoromethane
SMILESO=P(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2ClF6OP/c3-11(10,1(4,5)6)2(7,8)9
InChIKeySWGOPBBULKNHRX-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(trifluoromethyl)phosphoryl]-trifluoromethane?
The IUPAC name of [chloro(trifluoromethyl)phosphoryl]-trifluoromethane (CID 13410718) is [chloro(trifluoromethyl)phosphoryl]-trifluoromethane.
What is the SMILES notation for [chloro(trifluoromethyl)phosphoryl]-trifluoromethane?
The canonical SMILES for [chloro(trifluoromethyl)phosphoryl]-trifluoromethane is O=P(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [chloro(trifluoromethyl)phosphoryl]-trifluoromethane?
The InChIKey is SWGOPBBULKNHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF6OP/c3-11(10,1(4,5)6)2(7,8)9.
What are the key properties of [chloro(trifluoromethyl)phosphoryl]-trifluoromethane?
[chloro(trifluoromethyl)phosphoryl]-trifluoromethane has a molecular weight of 220.44 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(trifluoromethyl)phosphoryl]-trifluoromethane is sourced from PubChem (CID 13410718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).