6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene

C12H19FO — CID 134376263

IUPAC6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene
SMILESCC(C)C1=CCC(OCCF)CC=C1
InChIInChI=1S/C12H19FO/c1-10(2)11-4-3-5-12(7-6-11)14-9-8-13/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyLMEVTJVWIBHBKW-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.27
Rot. Bonds4

About 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene

6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene (PubChem CID 134376263) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene
PubChem CID134376263
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene
SMILESCC(C)C1=CCC(OCCF)CC=C1
InChIInChI=1S/C12H19FO/c1-10(2)11-4-3-5-12(7-6-11)14-9-8-13/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyLMEVTJVWIBHBKW-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7R)-5-fluoro-3,7-dimethyl-1-propan-2-yloxycyclohepta-1,3,5-triene
CID 130224965
5-(2-Fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene
CID 134376300
(3Z,5E)-6-(2-fluoroethoxy)-3-propan-2-ylhepta-1,3,5-triene
CID 134376350
7-Fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene
CID 143035415
(3Z,7Z,11E)-3,4,11-trifluoro-2,14-dimethyl-5,6,9,10,13-pentamethylidene-15-propan-2-yloxypentadeca-1,3,7,11-tetraene
CID 143772452
(8Z,12Z,16E)-8,9,16-trifluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene
CID 143772490
(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
CID 143772499
(2Z,8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-2,8,12,16-tetraene
CID 143772509
(3Z,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-3,7,11,15-tetraene
CID 143772533
(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
CID 143772550
(6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene
CID 143772556
(4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene
CID 143772617

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene?
The IUPAC name of 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene (CID 134376263) is 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene.
What is the SMILES notation for 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene?
The canonical SMILES for 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene is CC(C)C1=CCC(OCCF)CC=C1.
What is the InChIKey of 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene?
The InChIKey is LMEVTJVWIBHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-10(2)11-4-3-5-12(7-6-11)14-9-8-13/h3-4,6,10,12H,5,7-9H2,1-2H3.
What are the key properties of 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene?
6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene has a molecular weight of 198.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene is sourced from PubChem (CID 134376263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).