fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium

C8H17FNO3+ — CID 170721367

IUPACfluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium
SMILESCC(C)OC(=O)OCC[NH+](C)CF
InChIInChI=1S/C8H16FNO3/c1-7(2)13-8(11)12-5-4-10(3)6-9/h7H,4-6H2,1-3H3/p+1
InChIKeyVOJSUQGDZROVTH-UHFFFAOYSA-O
MW194.23 g/mol
LogP-0.01
Rot. Bonds5

About fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium

fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium (PubChem CID 170721367) has the molecular formula C8H17FNO3+ and a molecular weight of 194.23 g/mol. Its IUPAC name is fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium.

Molecular Properties

Compound Namefluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium
PubChem CID170721367
Molecular FormulaC8H17FNO3+
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Namefluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium
SMILESCC(C)OC(=O)OCC[NH+](C)CF
InChIInChI=1S/C8H16FNO3/c1-7(2)13-8(11)12-5-4-10(3)6-9/h7H,4-6H2,1-3H3/p+1
InChIKeyVOJSUQGDZROVTH-UHFFFAOYSA-O
XLogP-0.01
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-bromoethyl propan-2-yl carbonate
CID 103970527
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533
6-chlorohexyl propan-2-yl carbonate
CID 107708041
8-methylnonyl propan-2-yl carbonate
CID 174595196
4-oxo-4-(2-propan-2-yloxycarbonyloxyethoxy)but-2-enoic acid
CID 91591713
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
CID 118860519
propan-2-yl (propan-2-ylamino)methyl carbonate
CID 59502371
1-chloroethyl 2-chloroethyl carbonate
CID 87128668
(E)-2-(2-propan-2-yloxycarbonyloxyethyl)but-2-enedioic acid
CID 141375851
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433

Frequently Asked Questions

What is the IUPAC name of fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium?
The IUPAC name of fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium (CID 170721367) is fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium.
What is the SMILES notation for fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium?
The canonical SMILES for fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium is CC(C)OC(=O)OCC[NH+](C)CF.
What is the InChIKey of fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium?
The InChIKey is VOJSUQGDZROVTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16FNO3/c1-7(2)13-8(11)12-5-4-10(3)6-9/h7H,4-6H2,1-3H3/p+1.
What are the key properties of fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium?
fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium has a molecular weight of 194.23 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-methyl-(2-propan-2-yloxycarbonyloxyethyl)azanium is sourced from PubChem (CID 170721367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).