tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)

C32H64F4N4O8 — CID 173154701

IUPACtetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
SMILESCCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/4C7H15N.4CHFO2/c4*1-2-5-8-6-3-4-7-8;4*2-1(3)4/h4*2-7H2,1H3;4*(H,3,4)
InChIKeyNKZXSZDRFZGBSL-UHFFFAOYSA-N
MW708.88 g/mol
LogP8.50
Rot. Bonds8

About tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)

tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine) (PubChem CID 173154701) has the molecular formula C32H64F4N4O8 and a molecular weight of 708.88 g/mol. Its IUPAC name is tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine).

Molecular Properties

Compound Nametetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
PubChem CID173154701
Molecular FormulaC32H64F4N4O8
Molecular Weight708.88 g/mol
Exact Mass708.47
IUPAC Nametetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
SMILESCCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/4C7H15N.4CHFO2/c4*1-2-5-8-6-3-4-7-8;4*2-1(3)4/h4*2-7H2,1H3;4*(H,3,4)
InChIKeyNKZXSZDRFZGBSL-UHFFFAOYSA-N
XLogP8.50
TPSA162.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.88
LogP ≤ 58.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methanol;1-propylpiperidine
CID 171515121
1-propylpyrrolidine;hydrobromide
CID 173024709
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
acetic acid;1-dodecylpyrrolidine
CID 175583827
acetic acid;1-nonylpiperidine
CID 175874764
prop-1-ene;1-propylpyrrolidine
CID 143531885
4-(azepan-1-yl)-1-propylazepane-4-carboxylic acid
CID 65077378
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
CID 175288868
butane;2-methylbutane;1-propylpyrrolidine
CID 161374210
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
propan-1-ol;2-pyrrolidin-1-ylethanol
CID 174908040
1-propylpiperidine-4-carboxamide
CID 18678413

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)?
The IUPAC name of tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine) (CID 173154701) is tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine).
What is the SMILES notation for tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)?
The canonical SMILES for tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine) is CCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.
What is the InChIKey of tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)?
The InChIKey is NKZXSZDRFZGBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H15N.4CHFO2/c4*1-2-5-8-6-3-4-7-8;4*2-1(3)4/h4*2-7H2,1H3;4*(H,3,4).
What are the key properties of tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)?
tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine) has a molecular weight of 708.88 g/mol, XLogP of 8.50, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine) is sourced from PubChem (CID 173154701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).