(3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene

C19H29FO — CID 118018452

IUPAC(3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
SMILESCCOC1=C(C2=CC[C@H](F)CC2)[C@@H](C2CC2)CC(CC)C1
InChIInChI=1S/C19H29FO/c1-3-13-11-17(14-5-6-14)19(18(12-13)21-4-2)15-7-9-16(20)10-8-15/h7,13-14,16-17H,3-6,8-12H2,1-2H3/t13?,16-,17+/m0/s1
InChIKeyJIHUTPQPJOUTBA-ZMKYACIDSA-N
MW292.44 g/mol
LogP5.57
Rot. Bonds5

About (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene

(3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene (PubChem CID 118018452) has the molecular formula C19H29FO and a molecular weight of 292.44 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
PubChem CID118018452
Molecular FormulaC19H29FO
Molecular Weight292.44 g/mol
Exact Mass292.22
IUPAC Name(3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
SMILESCCOC1=C(C2=CC[C@H](F)CC2)[C@@H](C2CC2)CC(CC)C1
InChIInChI=1S/C19H29FO/c1-3-13-11-17(14-5-6-14)19(18(12-13)21-4-2)15-7-9-16(20)10-8-15/h7,13-14,16-17H,3-6,8-12H2,1-2H3/t13?,16-,17+/m0/s1
InChIKeyJIHUTPQPJOUTBA-ZMKYACIDSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene?
The IUPAC name of (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene (CID 118018452) is (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene.
What is the SMILES notation for (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene?
The canonical SMILES for (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene is CCOC1=C(C2=CC[C@H](F)CC2)[C@@H](C2CC2)CC(CC)C1.
What is the InChIKey of (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene?
The InChIKey is JIHUTPQPJOUTBA-ZMKYACIDSA-N. The full InChI is InChI=1S/C19H29FO/c1-3-13-11-17(14-5-6-14)19(18(12-13)21-4-2)15-7-9-16(20)10-8-15/h7,13-14,16-17H,3-6,8-12H2,1-2H3/t13?,16-,17+/m0/s1.
What are the key properties of (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene?
(3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene has a molecular weight of 292.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene is sourced from PubChem (CID 118018452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).