1-fluoroethyl propyl carbonate

C6H11FO3 — CID 150572044

IUPAC1-fluoroethyl propyl carbonate
SMILESCCCOC(=O)OC(C)F
InChIInChI=1S/C6H11FO3/c1-3-4-9-6(8)10-5(2)7/h5H,3-4H2,1-2H3
InChIKeyIMAWBFBCQQDBIC-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.87
Rot. Bonds3

About 1-fluoroethyl propyl carbonate

1-fluoroethyl propyl carbonate (PubChem CID 150572044) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is 1-fluoroethyl propyl carbonate.

Molecular Properties

Compound Name1-fluoroethyl propyl carbonate
PubChem CID150572044
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name1-fluoroethyl propyl carbonate
SMILESCCCOC(=O)OC(C)F
InChIInChI=1S/C6H11FO3/c1-3-4-9-6(8)10-5(2)7/h5H,3-4H2,1-2H3
InChIKeyIMAWBFBCQQDBIC-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl Carbonate
CID 7766
Dipropyl Carbonate
CID 69344
Ethyl methyl carbonate
CID 522046
Methyl Propyl carbonate
CID 10129937
Carbonic acid, butyl ethyl ester
CID 61880
Ethanol, 2-fluoro-, 1,1'-carbonate
CID 9840
Butyl methyl carbonate
CID 15688890
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Ethan-d5-ol, carbonate (2:1) (9CI); Carbonic acid di(ethyl-d5) ester; Carbonic acid diethyl ester-d10; Diethyl carbonate-d10; Ethyl carbonate-d10; Diethyl-d10 Carbonate
CID 117064671
Carbonic acid, ethyl propyl ester
CID 6420966
1-Fluoroethyl methyl carbonate
CID 11586304
Bis((~13~C_2_)ethyl) (~13~C)carbonate
CID 71309515

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl propyl carbonate?
The IUPAC name of 1-fluoroethyl propyl carbonate (CID 150572044) is 1-fluoroethyl propyl carbonate.
What is the SMILES notation for 1-fluoroethyl propyl carbonate?
The canonical SMILES for 1-fluoroethyl propyl carbonate is CCCOC(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl propyl carbonate?
The InChIKey is IMAWBFBCQQDBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-3-4-9-6(8)10-5(2)7/h5H,3-4H2,1-2H3.
What are the key properties of 1-fluoroethyl propyl carbonate?
1-fluoroethyl propyl carbonate has a molecular weight of 150.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl propyl carbonate is sourced from PubChem (CID 150572044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).